1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine

C213H310F11N33O5 — CID 158544530

IUPAC1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)C.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(C(C)O)n1.CC(C)c1cccc(F)n1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccon1.CC(C)c1ncc(C(F)(F)F)cn1.CC(C)c1ncc(F)cn1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCC(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C11H17NO.C10H15NO.2C9H11F.C9H14N2.C9H13NO.C9H13N.C8H9F3N2.5C8H10FN.C8H14N2.4C8H12N2.2C8H11N.C7H9FN2.C7H12N2.C7H10N2.C7H11NO.C6H9NO.C5H12.C4H10/c1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-7(2)9-5-4-6-10(11-9)8(3)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-6-11(10-9)8-3-4-8;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-12-3-6(4-13-7)8(9,10)11;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-4-7(3)10-8;1-6(2)8-4-5-9-7(3)10-8;2*1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-3-4-8-7-6;1-4-5(2)3;1-4(2)3/h5-8,13H,1-4H3;4-8,12H,1-3H3;2*3-7H,1-2H3;5-8H,3-4H2,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-5H,1-2H3;5*3-6H,1-2H3;5-6H,1-4H3;4*4-6H,1-3H3;2*3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyHOYFIEICGJNUSS-UHFFFAOYSA-N
MW3622.03 g/mol
LogP57.88
Rot. Bonds30

About 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine

1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 158544530) has the molecular formula C213H310F11N33O5 and a molecular weight of 3622.03 g/mol. Its IUPAC name is 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine
PubChem CID158544530
Molecular FormulaC213H310F11N33O5
Molecular Weight3622.03 g/mol
Exact Mass3619.48
IUPAC Name1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)C.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(C(C)O)n1.CC(C)c1cccc(F)n1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccon1.CC(C)c1ncc(C(F)(F)F)cn1.CC(C)c1ncc(F)cn1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCC(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)n1.Cc1nccc(C(C)C)n1
InChIInChI=1S/C11H17NO.C10H15NO.2C9H11F.C9H14N2.C9H13NO.C9H13N.C8H9F3N2.5C8H10FN.C8H14N2.4C8H12N2.2C8H11N.C7H9FN2.C7H12N2.C7H10N2.C7H11NO.C6H9NO.C5H12.C4H10/c1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-7(2)9-5-4-6-10(11-9)8(3)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-6-11(10-9)8-3-4-8;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-12-3-6(4-13-7)8(9,10)11;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-4-7(3)10-8;1-6(2)8-4-5-9-7(3)10-8;2*1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-3-4-8-7-6;1-4-5(2)3;1-4(2)3/h5-8,13H,1-4H3;4-8,12H,1-3H3;2*3-7H,1-2H3;5-8H,3-4H2,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-5H,1-2H3;5*3-6H,1-2H3;5-6H,1-4H3;4*4-6H,1-3H3;2*3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyHOYFIEICGJNUSS-UHFFFAOYSA-N
XLogP57.88
TPSA488.46 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003622.03
LogP ≤ 557.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]ethanol;3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxy-2-methylpropanamide;3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-2-hydroxy-2-methylpropanamide;3,3,3-trifluoro-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propan-1-ol
CID 157814805
(2S)-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxy-2-methylpropanamide;3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxy-2-methylpropanamide;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide;1,1,1-trifluoro-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 158884866
4-(1-Benzylpyrazol-4-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole;4-(5-chloro-2-pyridinyl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(4-methyl-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(6-methyl-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-pyrazin-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-pyridin-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-pyrimidin-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazole;5-methyl-3-propan-2-yl-4-pyridin-2-yl-1,2-oxazole;2-(3-propan-2-yl-4-pyridin-2-yl-1,2-oxazol-5-yl)propan-2-ol
CID 159221970
2,2-difluoro-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propan-1-ol;3-[[2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoropyrimidin-4-yl]amino]-2-hydroxy-2-methylpropanamide;(2S)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide;(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
CID 159594847
4-(1-Benzylpyrazol-4-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole;4-(5-chloro-2-pyridinyl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(4-methyl-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(5-methyl-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-4-(6-methyl-2-pyridinyl)-3-propan-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-pyrazin-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-pyridin-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-pyrimidin-2-yl-1,2-oxazole;5-cyclopropyl-3-propan-2-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazole
CID 160179514
3-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxy-2-methylpropanamide;1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;1,1,1-trifluoro-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;1,1,1-trifluoro-3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propan-2-ol
CID 160205749
Tert-butyl 4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyrazole-1-carboxylate;4-[3-(2-cyclopropylpyrimidin-5-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[1-[(1-fluoro-4-methylcyclohex-3-en-1-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 160412502
4-[3-[1-(Difluoromethyl)pyrazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid
CID 160653452
CID 161067576
CID 161067576
1-tert-butyl-3,3-difluoropyrrolidine;5-tert-butyl-2,3-dimethylpyridine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-2-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;5-tert-butyl-1-methyltriazole;4-tert-butylmorpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-1,2,4-triazole
CID 161131660
4-[3-[1-(2,2-Difluoropropyl)pyrazol-4-yl]-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 161483009
3-[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-hydroxy-2-methylpropanamide;3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-2-hydroxy-2-methylpropanamide;3,3,3-trifluoro-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]propan-1-ol
CID 161641929

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine (CID 158544530) is 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine is CC(C)C.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(C(C)O)n1.CC(C)c1cccc(F)n1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccon1.CC(C)c1ncc(C(F)(F)F)cn1.CC(C)c1ncc(F)cn1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCC(C)C.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)n1.Cc1nccc(C(C)C)n1.
What is the InChIKey of 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is HOYFIEICGJNUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C10H15NO.2C9H11F.C9H14N2.C9H13NO.C9H13N.C8H9F3N2.5C8H10FN.C8H14N2.4C8H12N2.2C8H11N.C7H9FN2.C7H12N2.C7H10N2.C7H11NO.C6H9NO.C5H12.C4H10/c1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-7(2)9-5-4-6-10(11-9)8(3)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-6-11(10-9)8-3-4-8;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-12-3-6(4-13-7)8(9,10)11;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-4-7(3)10-8;1-6(2)8-4-5-9-7(3)10-8;2*1-6(2)8-5-4-7(3)9-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-5(2)6-3-4-8-7-6;1-4-5(2)3;1-4(2)3/h5-8,13H,1-4H3;4-8,12H,1-3H3;2*3-7H,1-2H3;5-8H,3-4H2,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-5H,1-2H3;5*3-6H,1-2H3;5-6H,1-4H3;4*4-6H,1-3H3;2*3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 3622.03 g/mol, XLogP of 57.88, 30 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;bis(5-fluoro-2-propan-2-ylpyridine);5-fluoro-2-propan-2-ylpyrimidine;2-methylbutane;2-methylpropane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-6-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;bis(3-methyl-6-propan-2-ylpyridazine);2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)ethanol;(6-propan-2-yl-3-pyridinyl)methanol;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158544530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).