(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

C142H159F3N56O2 — CID 159014144

IUPAC(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
SMILESCC(=O)Nc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn([C@@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.N#CCC(C1CCC(F)(F)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCC(F)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1
InChIInChI=1S/C19H21N7O.2C19H23N7.C17H17F2N7.C17H18FN7.C17H19N7O.2C17H19N7/c1-12(27)24-19-15(17-14-7-9-21-18(14)23-11-22-17)10-26(25-19)16(6-8-20)13-4-2-3-5-13;2*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;18-17(19)4-1-10(7-17)13(2-5-20)26-8-12(15(21)25-26)14-11-3-6-22-16(11)24-9-23-14;18-11-2-1-10(7-11)14(3-5-19)25-8-13(16(20)24-25)15-12-4-6-21-17(12)23-9-22-15;18-5-3-14(10-1-2-11(25)7-10)24-8-13(16(19)23-24)15-12-4-6-20-17(12)22-9-21-15;2*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/h7,9-11,13,16H,2-6H2,1H3,(H,21,22,23)(H,24,25,27);2*8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24);3,6,8-10,13H,1-2,4,7H2,(H2,21,25)(H,22,23,24);4,6,8-11,14H,1-3,7H2,(H2,20,24)(H,21,22,23);4,6,8-11,14,25H,1-3,7H2,(H2,19,23)(H,20,21,22);2*6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t3*16-;;;;2*14-/m110...10/s1
InChIKeyJSWHSDJLUFMJCF-SZTRBTQJSA-N
MW2739.22 g/mol
LogP25.63
Rot. Bonds37

About (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

(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 (PubChem CID 159014144) has the molecular formula C142H159F3N56O2 and a molecular weight of 2739.22 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159014144
Molecular FormulaC142H159F3N56O2
Molecular Weight2739.22 g/mol
Exact Mass2737.40
IUPAC Name(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
SMILESCC(=O)Nc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn([C@@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.N#CCC(C1CCC(F)(F)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCC(F)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1
InChIInChI=1S/C19H21N7O.2C19H23N7.C17H17F2N7.C17H18FN7.C17H19N7O.2C17H19N7/c1-12(27)24-19-15(17-14-7-9-21-18(14)23-11-22-17)10-26(25-19)16(6-8-20)13-4-2-3-5-13;2*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;18-17(19)4-1-10(7-17)13(2-5-20)26-8-12(15(21)25-26)14-11-3-6-22-16(11)24-9-23-14;18-11-2-1-10(7-11)14(3-5-19)25-8-13(16(20)24-25)15-12-4-6-21-17(12)23-9-22-15;18-5-3-14(10-1-2-11(25)7-10)24-8-13(16(19)23-24)15-12-4-6-20-17(12)22-9-21-15;2*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/h7,9-11,13,16H,2-6H2,1H3,(H,21,22,23)(H,24,25,27);2*8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24);3,6,8-10,13H,1-2,4,7H2,(H2,21,25)(H,22,23,24);4,6,8-11,14H,1-3,7H2,(H2,20,24)(H,21,22,23);4,6,8-11,14,25H,1-3,7H2,(H2,19,23)(H,20,21,22);2*6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t3*16-;;;;2*14-/m110...10/s1
InChIKeyJSWHSDJLUFMJCF-SZTRBTQJSA-N
XLogP25.63
TPSA868.93 Ų
H-Bond Donors17
H-Bond Acceptors49
Rotatable Bonds37
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002739.22
LogP ≤ 525.63
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1049

Analyze (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 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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)Nc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn([C@@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.CCNc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.N#CCC(C1CCC(F)(F)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCC(F)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.
What is the InChIKey of (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?
The InChIKey is JSWHSDJLUFMJCF-SZTRBTQJSA-N. The full InChI is InChI=1S/C19H21N7O.2C19H23N7.C17H17F2N7.C17H18FN7.C17H19N7O.2C17H19N7/c1-12(27)24-19-15(17-14-7-9-21-18(14)23-11-22-17)10-26(25-19)16(6-8-20)13-4-2-3-5-13;2*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;18-17(19)4-1-10(7-17)13(2-5-20)26-8-12(15(21)25-26)14-11-3-6-22-16(11)24-9-23-14;18-11-2-1-10(7-11)14(3-5-19)25-8-13(16(20)24-25)15-12-4-6-21-17(12)23-9-22-15;18-5-3-14(10-1-2-11(25)7-10)24-8-13(16(19)23-24)15-12-4-6-20-17(12)22-9-21-15;2*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/h7,9-11,13,16H,2-6H2,1H3,(H,21,22,23)(H,24,25,27);2*8,10-13,16H,2-7H2,1H3,(H,21,25)(H,22,23,24);3,6,8-10,13H,1-2,4,7H2,(H2,21,25)(H,22,23,24);4,6,8-11,14H,1-3,7H2,(H2,20,24)(H,21,22,23);4,6,8-11,14,25H,1-3,7H2,(H2,19,23)(H,20,21,22);2*6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t3*16-;;;;2*14-/m110...10/s1.
What are the key properties of (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?
(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 has a molecular weight of 2739.22 g/mol, XLogP of 25.63, 37 rotatable bonds, 17 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159014144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).