5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C101H98Cl5F3N20O11 — CID 159854327

About 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 159854327) has the molecular formula C101H98Cl5F3N20O11 and a molecular weight of 2002.28 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 159854327
• Molecular Formula: C101H98Cl5F3N20O11
• Molecular Weight: 2002.28 g/mol
• Exact Mass: 1998.61
• IUPAC Name: 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CC(C)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCCC1)c1cc2cc(Cl)ncc2[nH]1
• InChI: InChI=1S/C21H20ClFN4O3.C21H21ClFN3O2.C20H18ClFN4O2.C20H20ClN5O2.C19H19ClN4O2/c22-19-9-13-8-16(25-18(13)10-24-19)20(29)26-17(7-12-1-3-14(23)4-2-12)21(30)27-6-5-15(28)11-27;1-12(2)24-20(27)18(9-13-3-6-16(23)7-4-13)26-21(28)19-11-14-10-15(22)5-8-17(14)25-19;21-18-9-12-8-16(25-17(12)10-23-18)20(28)26-15(19(27)24-14-5-6-14)7-11-1-3-13(22)4-2-11;21-18-10-14-9-15(24-17(14)12-23-18)19(27)25-16(8-13-4-3-5-22-11-13)20(28)26-6-1-2-7-26;1-24(2)19(26)17(11-14-5-3-4-8-21-14)23-18(25)16-10-12-9-13(20)6-7-15(12)22-16/h1-4,8-10,15,17,25,28H,5-7,11H2,(H,26,29);3-8,10-12,18,25H,9H2,1-2H3,(H,24,27)(H,26,28);1-4,8-10,14-15,25H,5-7H2,(H,24,27)(H,26,28);3-5,9-12,16,24H,1-2,6-8H2,(H,25,27);3-10,17,22H,11H2,1-2H3,(H,23,25)/t15-,17-;18-;15-;16-;17-/m00000/s1
• InChIKey: NQIGBVAKOHBLIC-YOTIGMJVSA-N
• XLogP: 14.31
• TPSA: 428.26 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 16
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.28
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 159854327) is 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CC(C)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCCC1)c1cc2cc(Cl)ncc2[nH]1.

What is the InChIKey of 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is NQIGBVAKOHBLIC-YOTIGMJVSA-N. The full InChI is InChI=1S/C21H20ClFN4O3.C21H21ClFN3O2.C20H18ClFN4O2.C20H20ClN5O2.C19H19ClN4O2/c22-19-9-13-8-16(25-18(13)10-24-19)20(29)26-17(7-12-1-3-14(23)4-2-12)21(30)27-6-5-15(28)11-27;1-12(2)24-20(27)18(9-13-3-6-16(23)7-4-13)26-21(28)19-11-14-10-15(22)5-8-17(14)25-19;21-18-9-12-8-16(25-17(12)10-23-18)20(28)26-15(19(27)24-14-5-6-14)7-11-1-3-13(22)4-2-11;21-18-10-14-9-15(24-17(14)12-23-18)19(27)25-16(8-13-4-3-5-22-11-13)20(28)26-6-1-2-7-26;1-24(2)19(26)17(11-14-5-3-4-8-21-14)23-18(25)16-10-12-9-13(20)6-7-15(12)22-16/h1-4,8-10,15,17,25,28H,5-7,11H2,(H,26,29);3-8,10-12,18,25H,9H2,1-2H3,(H,24,27)(H,26,28);1-4,8-10,14-15,25H,5-7H2,(H,24,27)(H,26,28);3-5,9-12,16,24H,1-2,6-8H2,(H,25,27);3-10,17,22H,11H2,1-2H3,(H,23,25)/t15-,17-;18-;15-;16-;17-/m00000/s1.

What are the key properties of 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2002.28 g/mol, XLogP of 14.31, 27 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 159854327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).