(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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide

C110H129N41O2 — CID 161457935

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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide

(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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide (PubChem CID 161457935) has the molecular formula C110H129N41O2 and a molecular weight of 2057.53 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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide.

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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
• PubChem CID: 161457935
• Molecular Formula: C110H129N41O2
• Molecular Weight: 2057.53 g/mol
• Exact Mass: 2056.13
• 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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
• SMILES: 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.CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(NC(C)=O)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
• InChI: InChI=1S/C19H21N7O.2C19H23N7.C19H24N6O.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;1-3-16(13-6-4-5-7-13)25-10-15(19(24-25)23-12(2)26)17-14-8-9-20-18(14)22-11-21-17;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);8-11,13,16H,3-7H2,1-2H3,(H,20,21,22)(H,23,24,26);2*6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t4*16-;2*14-/m110010/s1
• InChIKey: WBKFWBMVVPCOHZ-XDGSKCAQSA-N
• XLogP: 21.24
• TPSA: 609.59 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2057.53
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?

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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide (CID 161457935) 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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide.

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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?

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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide 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.CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(NC(C)=O)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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?

The InChIKey is WBKFWBMVVPCOHZ-XDGSKCAQSA-N. The full InChI is InChI=1S/C19H21N7O.2C19H23N7.C19H24N6O.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;1-3-16(13-6-4-5-7-13)25-10-15(19(24-25)23-12(2)26)17-14-8-9-20-18(14)22-11-21-17;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);8-11,13,16H,3-7H2,1-2H3,(H,20,21,22)(H,23,24,26);2*6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t4*16-;2*14-/m110010/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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?

(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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide has a molecular weight of 2057.53 g/mol, XLogP of 21.24, 30 rotatable bonds, 12 hydrogen bond donors, and 35 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;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;N-[1-[(1S)-1-cyclopentylpropyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 161457935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).