1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one

C101H146N24O6 — CID 157380160

About 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 157380160) has the molecular formula C101H146N24O6 and a molecular weight of 1792.44 g/mol. Its IUPAC name is 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 157380160
• Molecular Formula: C101H146N24O6
• Molecular Weight: 1792.44 g/mol
• Exact Mass: 1791.19
• IUPAC Name: 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
• SMILES: C.C.C.C.C.C=CC(=O)N1CCC[C@@H](Nc2ccnc3[nH]cc(C(C)C4CC4)c23)C1.C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(C4(C)CC4)c23)C1.C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(C4C[C@@H]4COC)c23)C1.C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(CC4CCCC4)c23)C1.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc(CC4CC4)c23)CC[C@@H]1C
• InChI: InChI=1S/C20H27N5O.C20H26N4O.C19H25N5O2.C19H25N5O.C18H23N5O.5CH4/c1-2-17(26)25-9-5-8-16(12-25)24-20-18-15(10-14-6-3-4-7-14)11-21-19(18)22-13-23-20;1-3-18(25)24-10-4-5-15(12-24)23-17-8-9-21-20-19(17)16(11-22-20)13(2)14-6-7-14;1-3-16(25)24-6-4-5-13(9-24)23-19-17-15(14-7-12(14)10-26-2)8-20-18(17)21-11-22-19;1-3-16(25)24-10-15(7-4-12(24)2)23-19-17-14(8-13-5-6-13)9-20-18(17)21-11-22-19;1-3-14(24)23-8-4-5-12(10-23)22-17-15-13(18(2)6-7-18)9-19-16(15)20-11-21-17;;;;;/h2,11,13-14,16H,1,3-10,12H2,(H2,21,22,23,24);3,8-9,11,13-15H,1,4-7,10,12H2,2H3,(H2,21,22,23);3,8,11-14H,1,4-7,9-10H2,2H3,(H2,20,21,22,23);3,9,11-13,15H,1,4-8,10H2,2H3,(H2,20,21,22,23);3,9,11-12H,1,4-8,10H2,2H3,(H2,19,20,21,22);5*1H4/t16-;13?,15-;12-,13-,14?;12-,15+;12-;;;;;/m11101...../s1
• InChIKey: BKUAYBQIZBGZHB-CPYOZFSTSA-N
• XLogP: 17.91
• TPSA: 365.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.44
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one (CID 157380160) is 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one is C.C.C.C.C.C=CC(=O)N1CCC[C@@H](Nc2ccnc3[nH]cc(C(C)C4CC4)c23)C1.C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(C4(C)CC4)c23)C1.C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(C4C[C@@H]4COC)c23)C1.C=CC(=O)N1CCC[C@@H](Nc2ncnc3[nH]cc(CC4CCCC4)c23)C1.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc(CC4CC4)c23)CC[C@@H]1C.

What is the InChIKey of 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?

The InChIKey is BKUAYBQIZBGZHB-CPYOZFSTSA-N. The full InChI is InChI=1S/C20H27N5O.C20H26N4O.C19H25N5O2.C19H25N5O.C18H23N5O.5CH4/c1-2-17(26)25-9-5-8-16(12-25)24-20-18-15(10-14-6-3-4-7-14)11-21-19(18)22-13-23-20;1-3-18(25)24-10-4-5-15(12-24)23-17-8-9-21-20-19(17)16(11-22-20)13(2)14-6-7-14;1-3-16(25)24-6-4-5-13(9-24)23-19-17-15(14-7-12(14)10-26-2)8-20-18(17)21-11-22-19;1-3-16(25)24-10-15(7-4-12(24)2)23-19-17-14(8-13-5-6-13)9-20-18(17)21-11-22-19;1-3-14(24)23-8-4-5-12(10-23)22-17-15-13(18(2)6-7-18)9-19-16(15)20-11-21-17;;;;;/h2,11,13-14,16H,1,3-10,12H2,(H2,21,22,23,24);3,8-9,11,13-15H,1,4-7,10,12H2,2H3,(H2,21,22,23);3,8,11-14H,1,4-7,9-10H2,2H3,(H2,20,21,22,23);3,9,11-13,15H,1,4-8,10H2,2H3,(H2,20,21,22,23);3,9,11-12H,1,4-8,10H2,2H3,(H2,19,20,21,22);5*1H4/t16-;13?,15-;12-,13-,14?;12-,15+;12-;;;;;/m11101...../s1.

What are the key properties of 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?

1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 1792.44 g/mol, XLogP of 17.91, 25 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[[5-(cyclopentylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[3-(1-cyclopropylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(2S,5R)-5-[[5-(cyclopropylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;methane;1-[(3R)-3-[[5-[(2S)-2-(methoxymethyl)cyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 157380160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).