3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

C108H130N42O2 — CID 157091912

IUPAC3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESCCN(CC)c1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCCC1)n1ncc(-c2ncnc3[nH]ccc23)c1N.NC(=O)CC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.NC(=O)CC(C1CCCC1)n1ncc(-c2ncnc3[nH]ccc23)c1N
InChIInChI=1S/C21H27N7.C19H23N7.2C17H21N7O.2C17H19N7/c1-3-27(4-2)21-17(19-16-10-12-23-20(16)25-14-24-19)13-28(26-21)18(9-11-22)15-7-5-6-8-15;1-2-21-19-15(17-14-8-10-22-18(14)24-12-23-17)11-26(25-19)16(7-9-20)13-5-3-4-6-13;18-14(25)7-13(10-3-1-2-4-10)24-8-12(16(19)23-24)15-11-5-6-20-17(11)22-9-21-15;18-14(25)7-13(10-3-1-2-4-10)24-16(19)12(8-23-24)15-11-5-6-20-17(11)22-9-21-15;18-7-5-14(11-3-1-2-4-11)24-9-13(16(19)23-24)15-12-6-8-20-17(12)22-10-21-15;18-7-5-14(11-3-1-2-4-11)24-16(19)13(9-23-24)15-12-6-8-20-17(12)22-10-21-15/h10,12-15,18H,3-9H2,1-2H3,(H,23,24,25);8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24);5-6,8-10,13H,1-4,7H2,(H2,18,25)(H2,19,23)(H,20,21,22);5-6,8-10,13H,1-4,7,19H2,(H2,18,25)(H,20,21,22);6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22);6,8-11,14H,1-5,19H2,(H,20,21,22)
InChIKeyAETKMOUSCRDFBT-UHFFFAOYSA-N
MW2048.52 g/mol
LogP18.33
Rot. Bonds31

About 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (PubChem CID 157091912) has the molecular formula C108H130N42O2 and a molecular weight of 2048.52 g/mol. Its IUPAC name is 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
PubChem CID157091912
Molecular FormulaC108H130N42O2
Molecular Weight2048.52 g/mol
Exact Mass2047.14
IUPAC Name3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESCCN(CC)c1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCCC1)n1ncc(-c2ncnc3[nH]ccc23)c1N.NC(=O)CC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.NC(=O)CC(C1CCCC1)n1ncc(-c2ncnc3[nH]ccc23)c1N
InChIInChI=1S/C21H27N7.C19H23N7.2C17H21N7O.2C17H19N7/c1-3-27(4-2)21-17(19-16-10-12-23-20(16)25-14-24-19)13-28(26-21)18(9-11-22)15-7-5-6-8-15;1-2-21-19-15(17-14-8-10-22-18(14)24-12-23-17)11-26(25-19)16(7-9-20)13-5-3-4-6-13;18-14(25)7-13(10-3-1-2-4-10)24-8-12(16(19)23-24)15-11-5-6-20-17(11)22-9-21-15;18-14(25)7-13(10-3-1-2-4-10)24-16(19)12(8-23-24)15-11-5-6-20-17(11)22-9-21-15;18-7-5-14(11-3-1-2-4-11)24-9-13(16(19)23-24)15-12-6-8-20-17(12)22-10-21-15;18-7-5-14(11-3-1-2-4-11)24-16(19)13(9-23-24)15-12-6-8-20-17(12)22-10-21-15/h10,12-15,18H,3-9H2,1-2H3,(H,23,24,25);8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24);5-6,8-10,13H,1-4,7H2,(H2,18,25)(H2,19,23)(H,20,21,22);5-6,8-10,13H,1-4,7,19H2,(H2,18,25)(H,20,21,22);6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22);6,8-11,14H,1-5,19H2,(H,20,21,22)
InChIKeyAETKMOUSCRDFBT-UHFFFAOYSA-N
XLogP18.33
TPSA657.03 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002048.52
LogP ≤ 518.33
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Analyze 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile with MolForge

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 158661368
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 158707418
4-N-[(1S)-1-cyclohexylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[4-[[4-(1-cyclopropylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide;4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-ethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-4-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 158823754
(3R)-3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;(3S)-3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-(3,3-difluorocyclopentyl)propanenitrile;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-(3-fluorocyclopentyl)propanenitrile;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-(3-hydroxycyclopentyl)propanenitrile;N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide;(3R)-3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;(3S)-3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CID 159014144
1-cyclopentyl-N-[[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 159631635
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 159709762
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 160024373
6-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-6-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160781039
7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160973525
2-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;6-[4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 161061097
[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,4-dihydro-2H-pyridin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;tris(2,5-dimethyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);3-[6-[3-(1H-imidazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 161620445
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 162037702

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (CID 157091912) is 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is CCN(CC)c1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn(C(CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCCC1)n1ncc(-c2ncnc3[nH]ccc23)c1N.NC(=O)CC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.NC(=O)CC(C1CCCC1)n1ncc(-c2ncnc3[nH]ccc23)c1N.
What is the InChIKey of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The InChIKey is AETKMOUSCRDFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7.C19H23N7.2C17H21N7O.2C17H19N7/c1-3-27(4-2)21-17(19-16-10-12-23-20(16)25-14-24-19)13-28(26-21)18(9-11-22)15-7-5-6-8-15;1-2-21-19-15(17-14-8-10-22-18(14)24-12-23-17)11-26(25-19)16(7-9-20)13-5-3-4-6-13;18-14(25)7-13(10-3-1-2-4-10)24-8-12(16(19)23-24)15-11-5-6-20-17(11)22-9-21-15;18-14(25)7-13(10-3-1-2-4-10)24-16(19)12(8-23-24)15-11-5-6-20-17(11)22-9-21-15;18-7-5-14(11-3-1-2-4-11)24-9-13(16(19)23-24)15-12-6-8-20-17(12)22-10-21-15;18-7-5-14(11-3-1-2-4-11)24-16(19)13(9-23-24)15-12-6-8-20-17(12)22-10-21-15/h10,12-15,18H,3-9H2,1-2H3,(H,23,24,25);8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24);5-6,8-10,13H,1-4,7H2,(H2,18,25)(H2,19,23)(H,20,21,22);5-6,8-10,13H,1-4,7,19H2,(H2,18,25)(H,20,21,22);6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22);6,8-11,14H,1-5,19H2,(H,20,21,22).
What are the key properties of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile has a molecular weight of 2048.52 g/mol, XLogP of 18.33, 31 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide;3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-[5-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;3-cyclopentyl-3-[3-(diethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-(ethylamino)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 157091912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).