1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide

C187H260N44O6S4 — CID 159753448

IUPAC1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCN(C)CC2)cs1.CC(C)c1cc(C(=O)NC2CCNC2)cs1.CC(C)c1cc(C(=O)NC2CCNCC2)cs1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)c1.CC(C)c1cnn(-c2ccncc2)c1.CC(C)c1cnn(-c2ccncn2)c1.CC(C)c1cnn(-c2cncnc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1cnn(C2CCCNC2)c1.CC(C)c1cnn(CCO)c1.COCCNC(=O)c1csc(C(C)C)c1.Cc1cc(-n2cc(C(C)C)cn2)ccn1.Cc1cncc(-n2cc(C(C)C)cn2)c1.Cc1ncccc1-n1cc(C(C)C)cn1
InChIInChI=1S/2C13H20N2OS.3C12H15N3.C12H18N2OS.C12H14N2.C11H13N3.C11H19N3.2C11H13N3.C11H18N2.C11H17NO2S.2C10H12N4.C8H14N2O.C7H12N2/c1-10(2)12-8-11(9-17-12)13(16)15-6-4-14(3)5-7-15;1-9(2)12-7-10(8-17-12)13(16)15-11-3-5-14-6-4-11;1-9(2)11-6-14-15(8-11)12-4-10(3)5-13-7-12;1-9(2)11-7-14-15(8-11)12-4-5-13-10(3)6-12;1-9(2)11-7-14-15(8-11)12-5-4-6-13-10(12)3;1-8(2)11-5-9(7-16-11)12(15)14-10-3-4-13-6-10;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;2*1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)10-6-9(7-15-10)11(13)12-4-5-14-3;1-8(2)9-3-13-14(6-9)10-4-11-7-12-5-10;1-8(2)9-5-13-14(6-9)10-3-4-11-7-12-10;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)7-4-8-9(3)5-7/h8-10H,4-7H2,1-3H3;7-9,11,14H,3-6H2,1-2H3,(H,15,16);3*4-9H,1-3H3;5,7-8,10,13H,3-4,6H2,1-2H3,(H,14,15);3-10H,1-2H3;3-9H,1-2H3;6,8-9,11-12H,3-5,7H2,1-2H3;2*3-9H,1-2H3;7-9,11H,3-6H2,1-2H3;6-8H,4-5H2,1-3H3,(H,12,13);2*3-8H,1-2H3;5-7,11H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyNDYIUTXMVQAPLQ-UHFFFAOYSA-N
MW3348.71 g/mol
LogP38.25
Rot. Bonds39

About 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide

1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide (PubChem CID 159753448) has the molecular formula C187H260N44O6S4 and a molecular weight of 3348.71 g/mol. Its IUPAC name is 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide
PubChem CID159753448
Molecular FormulaC187H260N44O6S4
Molecular Weight3348.71 g/mol
Exact Mass3346.03
IUPAC Name1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCN(C)CC2)cs1.CC(C)c1cc(C(=O)NC2CCNC2)cs1.CC(C)c1cc(C(=O)NC2CCNCC2)cs1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)c1.CC(C)c1cnn(-c2ccncc2)c1.CC(C)c1cnn(-c2ccncn2)c1.CC(C)c1cnn(-c2cncnc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1cnn(C2CCCNC2)c1.CC(C)c1cnn(CCO)c1.COCCNC(=O)c1csc(C(C)C)c1.Cc1cc(-n2cc(C(C)C)cn2)ccn1.Cc1cncc(-n2cc(C(C)C)cn2)c1.Cc1ncccc1-n1cc(C(C)C)cn1
InChIInChI=1S/2C13H20N2OS.3C12H15N3.C12H18N2OS.C12H14N2.C11H13N3.C11H19N3.2C11H13N3.C11H18N2.C11H17NO2S.2C10H12N4.C8H14N2O.C7H12N2/c1-10(2)12-8-11(9-17-12)13(16)15-6-4-14(3)5-7-15;1-9(2)12-7-10(8-17-12)13(16)15-11-3-5-14-6-4-11;1-9(2)11-6-14-15(8-11)12-4-10(3)5-13-7-12;1-9(2)11-7-14-15(8-11)12-4-5-13-10(3)6-12;1-9(2)11-7-14-15(8-11)12-5-4-6-13-10(12)3;1-8(2)11-5-9(7-16-11)12(15)14-10-3-4-13-6-10;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;2*1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)10-6-9(7-15-10)11(13)12-4-5-14-3;1-8(2)9-3-13-14(6-9)10-4-11-7-12-5-10;1-8(2)9-5-13-14(6-9)10-3-4-11-7-12-10;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)7-4-8-9(3)5-7/h8-10H,4-7H2,1-3H3;7-9,11,14H,3-6H2,1-2H3,(H,15,16);3*4-9H,1-3H3;5,7-8,10,13H,3-4,6H2,1-2H3,(H,14,15);3-10H,1-2H3;3-9H,1-2H3;6,8-9,11-12H,3-5,7H2,1-2H3;2*3-9H,1-2H3;7-9,11H,3-6H2,1-2H3;6-8H,4-5H2,1-3H3,(H,12,13);2*3-8H,1-2H3;5-7,11H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyNDYIUTXMVQAPLQ-UHFFFAOYSA-N
XLogP38.25
TPSA536.96 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds39
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003348.71
LogP ≤ 538.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide with MolForge

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Related Compounds

(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-fluoroazetidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-methylpyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157779490
(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-fluoroazetidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-methylpyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 158482840
(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 159066061
5-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-5-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide;N,N-dimethyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-5-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 159908694
5-(2-benzyl-5-methylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-5-(1-phenyl-3-propan-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;5-[1-(2-hydroxyethyl)-3-propan-2-ylpyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide
CID 160943455
bis(5-(1-cyclopentyl-5-methylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide);N,N-dimethyl-5-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-4-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;N,N-dimethyl-5-[1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 161127996
(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 161820955
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethyl)-5-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethylthiophen-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 162193562
N-[5-[1-methyl-7-[2-methyl-5-[2-[(9E)-2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,2-b]azocin-10-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145248870
8-amino-N,N-dibenzyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-ethyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-(3-hydroxypropyl)-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-methyl-N-propyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpyrrolidin-1-yl)methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-piperidin-1-ylmethanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 157053664
(4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-pyrrolidin-1-ylbutyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157133015
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide;1-[5-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 157181041

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The IUPAC name of 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide (CID 159753448) is 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)N2CCN(C)CC2)cs1.CC(C)c1cc(C(=O)NC2CCNC2)cs1.CC(C)c1cc(C(=O)NC2CCNCC2)cs1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(-c2cccnc2)c1.CC(C)c1cnn(-c2ccncc2)c1.CC(C)c1cnn(-c2ccncn2)c1.CC(C)c1cnn(-c2cncnc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1cnn(C2CCCNC2)c1.CC(C)c1cnn(CCO)c1.COCCNC(=O)c1csc(C(C)C)c1.Cc1cc(-n2cc(C(C)C)cn2)ccn1.Cc1cncc(-n2cc(C(C)C)cn2)c1.Cc1ncccc1-n1cc(C(C)C)cn1.
What is the InChIKey of 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
The InChIKey is NDYIUTXMVQAPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N2OS.3C12H15N3.C12H18N2OS.C12H14N2.C11H13N3.C11H19N3.2C11H13N3.C11H18N2.C11H17NO2S.2C10H12N4.C8H14N2O.C7H12N2/c1-10(2)12-8-11(9-17-12)13(16)15-6-4-14(3)5-7-15;1-9(2)12-7-10(8-17-12)13(16)15-11-3-5-14-6-4-11;1-9(2)11-6-14-15(8-11)12-4-10(3)5-13-7-12;1-9(2)11-7-14-15(8-11)12-4-5-13-10(3)6-12;1-9(2)11-7-14-15(8-11)12-5-4-6-13-10(12)3;1-8(2)11-5-9(7-16-11)12(15)14-10-3-4-13-6-10;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;2*1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)10-6-9(7-15-10)11(13)12-4-5-14-3;1-8(2)9-3-13-14(6-9)10-4-11-7-12-5-10;1-8(2)9-5-13-14(6-9)10-3-4-11-7-12-10;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)7-4-8-9(3)5-7/h8-10H,4-7H2,1-3H3;7-9,11,14H,3-6H2,1-2H3,(H,15,16);3*4-9H,1-3H3;5,7-8,10,13H,3-4,6H2,1-2H3,(H,14,15);3-10H,1-2H3;3-9H,1-2H3;6,8-9,11-12H,3-5,7H2,1-2H3;2*3-9H,1-2H3;7-9,11H,3-6H2,1-2H3;6-8H,4-5H2,1-3H3,(H,12,13);2*3-8H,1-2H3;5-7,11H,3-4H2,1-2H3;4-6H,1-3H3.
What are the key properties of 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide?
1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide has a molecular weight of 3348.71 g/mol, XLogP of 38.25, 39 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-propan-2-ylpyrazole;N-(2-methoxyethyl)-5-propan-2-ylthiophene-3-carboxamide;(4-methylpiperazin-1-yl)-(5-propan-2-ylthiophen-3-yl)methanone;1-methyl-4-propan-2-ylpyrazole;2-methyl-3-(4-propan-2-ylpyrazol-1-yl)pyridine;2-methyl-4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-5-(4-propan-2-ylpyrazol-1-yl)pyridine;1-phenyl-4-propan-2-ylpyrazole;N-piperidin-4-yl-5-propan-2-ylthiophene-3-carboxamide;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-(4-propan-2-ylpyrazol-1-yl)piperidine;2-(4-propan-2-ylpyrazol-1-yl)pyridine;3-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyridine;4-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-(4-propan-2-ylpyrazol-1-yl)pyrimidine;5-propan-2-yl-N-pyrrolidin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 159753448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).