tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine

C71H73Cl7F3N17O5 — CID 167654151

About tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine

tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 167654151) has the molecular formula C71H73Cl7F3N17O5 and a molecular weight of 1549.64 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine
• PubChem CID: 167654151
• Molecular Formula: C71H73Cl7F3N17O5
• Molecular Weight: 1549.64 g/mol
• Exact Mass: 1545.38
• IUPAC Name: tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine
• SMILES: CN(C(=O)[C@@H]1CCCN1)c1cc(Cl)c2ccn(C)c2n1.CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)c2ccn(C)c2n1.Cc1cc(C(F)(F)F)c(C#N)c(N2CCC[C@H]2C(=O)N(C)c2cc(Cl)c3ccn(C)c3n2)n1.Clc1cc(Cl)c2c(n1)CC=C2.Cn1ccc2c(Cl)cc(Cl)nc21
• InChI: InChI=1S/C22H20ClF3N6O.C19H25ClN4O3.C14H17ClN4O.C8H6Cl2N2.C8H5Cl2N/c1-12-9-15(22(24,25)26)14(11-27)20(28-12)32-7-4-5-17(32)21(33)31(3)18-10-16(23)13-6-8-30(2)19(13)29-18;1-19(2,3)27-18(26)24-9-6-7-14(24)17(25)23(5)15-11-13(20)12-8-10-22(4)16(12)21-15;1-18-7-5-9-10(15)8-12(17-13(9)18)19(2)14(20)11-4-3-6-16-11;1-12-3-2-5-6(9)4-7(10)11-8(5)12;9-6-4-8(10)11-7-3-1-2-5(6)7/h6,8-10,17H,4-5,7H2,1-3H3;8,10-11,14H,6-7,9H2,1-5H3;5,7-8,11,16H,3-4,6H2,1-2H3;2-4H,1H3;1-2,4H,3H2/t17-;14-;11-;;/m000../s1
• InChIKey: QZUXZWACIPIMCM-XMIZFNNMSA-N
• XLogP: 15.82
• TPSA: 226.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.64
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine?

The IUPAC name of tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine (CID 167654151) is tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine.

What is the SMILES notation for tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine?

The canonical SMILES for tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine is CN(C(=O)[C@@H]1CCCN1)c1cc(Cl)c2ccn(C)c2n1.CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)c2ccn(C)c2n1.Cc1cc(C(F)(F)F)c(C#N)c(N2CCC[C@H]2C(=O)N(C)c2cc(Cl)c3ccn(C)c3n2)n1.Clc1cc(Cl)c2c(n1)CC=C2.Cn1ccc2c(Cl)cc(Cl)nc21.

What is the InChIKey of tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine?

The InChIKey is QZUXZWACIPIMCM-XMIZFNNMSA-N. The full InChI is InChI=1S/C22H20ClF3N6O.C19H25ClN4O3.C14H17ClN4O.C8H6Cl2N2.C8H5Cl2N/c1-12-9-15(22(24,25)26)14(11-27)20(28-12)32-7-4-5-17(32)21(33)31(3)18-10-16(23)13-6-8-30(2)19(13)29-18;1-19(2,3)27-18(26)24-9-6-7-14(24)17(25)23(5)15-11-13(20)12-8-10-22(4)16(12)21-15;1-18-7-5-9-10(15)8-12(17-13(9)18)19(2)14(20)11-4-3-6-16-11;1-12-3-2-5-6(9)4-7(10)11-8(5)12;9-6-4-8(10)11-7-3-1-2-5(6)7/h6,8-10,17H,4-5,7H2,1-3H3;8,10-11,14H,6-7,9H2,1-5H3;5,7-8,11,16H,3-4,6H2,1-2H3;2-4H,1H3;1-2,4H,3H2/t17-;14-;11-;;/m000../s1.

What are the key properties of tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine?

tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 1549.64 g/mol, XLogP of 15.82, 7 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-methylcarbamoyl]pyrrolidine-1-carboxylate;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide;(2S)-N-(4-chloro-1-methylpyrrolo[2,3-b]pyridin-6-yl)-N-methylpyrrolidine-2-carboxamide;2,4-dichloro-7H-cyclopenta[b]pyridine;4,6-dichloro-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167654151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).