(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C79H82Cl3F7N24O7 — CID 158290131

About (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 158290131) has the molecular formula C79H82Cl3F7N24O7 and a molecular weight of 1719.03 g/mol. Its IUPAC name is (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• PubChem CID: 158290131
• Molecular Formula: C79H82Cl3F7N24O7
• Molecular Weight: 1719.03 g/mol
• Exact Mass: 1716.58
• IUPAC Name: (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
• SMILES: CCN(C)C(=O)[C@H]1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CCN(C)C(=O)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.CCOC(=O)c1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1N1CCC[C@@H]1C(=O)N(C)CC(F)(F)F.CN(CC(F)(F)F)C(=O)[C@H]1CCCN1c1nc(-c2c[nH]c3ncccc23)ncc1O
• InChI: InChI=1S/C22H22ClF3N6O3.C19H20ClFN6O.C19H21ClN6O.C19H19F3N6O2/c1-3-35-21(34)15-10-29-18(14-9-28-17-13(14)7-12(23)8-27-17)30-19(15)32-6-4-5-16(32)20(33)31(2)11-22(24,25)26;1-3-26(2)19(28)15-5-4-6-27(15)18-14(21)10-24-17(25-18)13-9-23-16-12(13)7-11(20)8-22-16;1-3-25(2)19(27)15-5-4-8-26(15)16-6-7-21-18(24-16)14-11-23-17-13(14)9-12(20)10-22-17;1-27(10-19(20,21)22)18(30)13-5-3-7-28(13)17-14(29)9-25-16(26-17)12-8-24-15-11(12)4-2-6-23-15/h7-10,16H,3-6,11H2,1-2H3,(H,27,28);7-10,15H,3-6H2,1-2H3,(H,22,23);6-7,9-11,15H,3-5,8H2,1-2H3,(H,22,23);2,4,6,8-9,13,29H,3,5,7,10H2,1H3,(H,23,24)/t16-;2*15-;13-/m1111/s1
• InChIKey: GLGCYPFCKWILMF-RVZAWWIXSA-N
• XLogP: 12.93
• TPSA: 358.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1719.03
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 158290131) is (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCN(C)C(=O)[C@H]1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CCN(C)C(=O)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.CCOC(=O)c1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1N1CCC[C@@H]1C(=O)N(C)CC(F)(F)F.CN(CC(F)(F)F)C(=O)[C@H]1CCCN1c1nc(-c2c[nH]c3ncccc23)ncc1O.

What is the InChIKey of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

The InChIKey is GLGCYPFCKWILMF-RVZAWWIXSA-N. The full InChI is InChI=1S/C22H22ClF3N6O3.C19H20ClFN6O.C19H21ClN6O.C19H19F3N6O2/c1-3-35-21(34)15-10-29-18(14-9-28-17-13(14)7-12(23)8-27-17)30-19(15)32-6-4-5-16(32)20(33)31(2)11-22(24,25)26;1-3-26(2)19(28)15-5-4-6-27(15)18-14(21)10-24-17(25-18)13-9-23-16-12(13)7-11(20)8-22-16;1-3-25(2)19(27)15-5-4-8-26(15)16-6-7-21-18(24-16)14-11-23-17-13(14)9-12(20)10-22-17;1-27(10-19(20,21)22)18(30)13-5-3-7-28(13)17-14(29)9-25-16(26-17)12-8-24-15-11(12)4-2-6-23-15/h7-10,16H,3-6,11H2,1-2H3,(H,27,28);7-10,15H,3-6H2,1-2H3,(H,22,23);6-7,9-11,15H,3-5,8H2,1-2H3,(H,22,23);2,4,6,8-9,13,29H,3,5,7,10H2,1H3,(H,23,24)/t16-;2*15-;13-/m1111/s1.

What are the key properties of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?

(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 1719.03 g/mol, XLogP of 12.93, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;ethyl 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidin-1-yl]pyrimidine-5-carboxylate;(2R)-1-[5-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 158290131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).