1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C73H75ClF10N24O4 — CID 158259506

About 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 158259506) has the molecular formula C73H75ClF10N24O4 and a molecular weight of 1578.00 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• PubChem CID: 158259506
• Molecular Formula: C73H75ClF10N24O4
• Molecular Weight: 1578.00 g/mol
• Exact Mass: 1576.59
• IUPAC Name: 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• SMILES: CC1(C(=O)NCC(F)(F)F)CCCN1c1ccnc(-c2c[nH]c3ncccc23)n1.CCN(C)C(=O)C1(C)CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.C[C@@H](Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)N(C)CC(F)(F)F.C[C@@H](Nc1nc(-c2c[nH]c3ncccc23)ncc1F)C(=O)N(C)CC(F)(F)F
• InChI: InChI=1S/C20H23ClN6O.C19H19F3N6O.C17H16F4N6O.C17H17F3N6O/c1-4-26(3)19(28)20(2)7-5-9-27(20)16-6-8-22-18(25-16)15-12-24-17-14(15)10-13(21)11-23-17;1-18(17(29)26-11-19(20,21)22)6-3-9-28(18)14-5-8-24-16(27-14)13-10-25-15-12(13)4-2-7-23-15;1-9(16(28)27(2)8-17(19,20)21)25-15-12(18)7-24-14(26-15)11-6-23-13-10(11)4-3-5-22-13;1-10(16(27)26(2)9-17(18,19)20)24-13-5-7-22-15(25-13)12-8-23-14-11(12)4-3-6-21-14/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,23,24);2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,23,25)(H,26,29);3-7,9H,8H2,1-2H3,(H,22,23)(H,24,25,26);3-8,10H,9H2,1-2H3,(H,21,23)(H,22,24,25)/t;;9-;10-/m..11/s1
• InChIKey: GHRZECPNMQOSTP-GEWYRYLASA-N
• XLogP: 12.39
• TPSA: 338.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1578.00
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 158259506) is 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NCC(F)(F)F)CCCN1c1ccnc(-c2c[nH]c3ncccc23)n1.CCN(C)C(=O)C1(C)CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.C[C@@H](Nc1ccnc(-c2c[nH]c3ncccc23)n1)C(=O)N(C)CC(F)(F)F.C[C@@H](Nc1nc(-c2c[nH]c3ncccc23)ncc1F)C(=O)N(C)CC(F)(F)F.

What is the InChIKey of 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The InChIKey is GHRZECPNMQOSTP-GEWYRYLASA-N. The full InChI is InChI=1S/C20H23ClN6O.C19H19F3N6O.C17H16F4N6O.C17H17F3N6O/c1-4-26(3)19(28)20(2)7-5-9-27(20)16-6-8-22-18(25-16)15-12-24-17-14(15)10-13(21)11-23-17;1-18(17(29)26-11-19(20,21)22)6-3-9-28(18)14-5-8-24-16(27-14)13-10-25-15-12(13)4-2-7-23-15;1-9(16(28)27(2)8-17(19,20)21)25-15-12(18)7-24-14(26-15)11-6-23-13-10(11)4-3-5-22-13;1-10(16(27)26(2)9-17(18,19)20)24-13-5-7-22-15(25-13)12-8-23-14-11(12)4-3-6-21-14/h6,8,10-12H,4-5,7,9H2,1-3H3,(H,23,24);2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,23,25)(H,26,29);3-7,9H,8H2,1-2H3,(H,22,23)(H,24,25,26);3-8,10H,9H2,1-2H3,(H,21,23)(H,22,24,25)/t;;9-;10-/m..11/s1.

What are the key properties of 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 1578.00 g/mol, XLogP of 12.39, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N,2-dimethylpyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-N-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 158259506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).