2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen

C87H96Cl4F8N22O8 — CID 159743790

About 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen

2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 159743790) has the molecular formula C87H96Cl4F8N22O8 and a molecular weight of 1871.67 g/mol. Its IUPAC name is 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
• PubChem CID: 159743790
• Molecular Formula: C87H96Cl4F8N22O8
• Molecular Weight: 1871.67 g/mol
• Exact Mass: 1868.64
• IUPAC Name: 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
• SMILES: CCNC(=O)C(C)(C)Nc1cc(-c2c[nH]c3ncc(Cl)cc23)cc2cc(OC)c(OC)cc12.CC[C@H]1CC[C@H](C(=O)NCC(F)(F)F)N1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.COc1cc2nc(-c3c[nH]c4ncc(Cl)cc34)nc(NC(C)(C)C(=O)NCCF)c2cc1OC.C[C@H]1CC[C@H](C(=O)NCC(F)(F)F)N1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H27ClN4O3.C23H24ClFN6O3.C20H20ClF3N6O.C19H17ClF4N6O.4H2/c1-6-27-24(31)25(2,3)30-20-8-14(19-13-29-23-18(19)10-16(26)12-28-23)7-15-9-21(32-4)22(33-5)11-17(15)20;1-23(2,22(32)26-6-5-25)31-21-14-8-17(33-3)18(34-4)9-16(14)29-20(30-21)15-11-28-19-13(15)7-12(24)10-27-19;1-2-12-3-4-15(19(31)28-10-20(22,23)24)30(12)16-5-6-25-18(29-16)14-9-27-17-13(14)7-11(21)8-26-17;1-9-2-3-14(18(31)28-8-19(22,23)24)30(9)17-13(21)7-27-16(29-17)12-6-26-15-11(12)4-10(20)5-25-15;;;;/h7-13,30H,6H2,1-5H3,(H,27,31)(H,28,29);7-11H,5-6H2,1-4H3,(H,26,32)(H,27,28)(H,29,30,31);5-9,12,15H,2-4,10H2,1H3,(H,26,27)(H,28,31);4-7,9,14H,2-3,8H2,1H3,(H,25,26)(H,28,31);4*1H/t;;12-,15+;9-,14+;;;;/m..00..../s1
• InChIKey: NCUGXIUOSQCKFF-FVPAPCFOSA-N
• XLogP: 18.43
• TPSA: 375.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.67
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The IUPAC name of 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen (CID 159743790) is 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The canonical SMILES for 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen is CCNC(=O)C(C)(C)Nc1cc(-c2c[nH]c3ncc(Cl)cc23)cc2cc(OC)c(OC)cc12.CC[C@H]1CC[C@H](C(=O)NCC(F)(F)F)N1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.COc1cc2nc(-c3c[nH]c4ncc(Cl)cc34)nc(NC(C)(C)C(=O)NCCF)c2cc1OC.C[C@H]1CC[C@H](C(=O)NCC(F)(F)F)N1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The InChIKey is NCUGXIUOSQCKFF-FVPAPCFOSA-N. The full InChI is InChI=1S/C25H27ClN4O3.C23H24ClFN6O3.C20H20ClF3N6O.C19H17ClF4N6O.4H2/c1-6-27-24(31)25(2,3)30-20-8-14(19-13-29-23-18(19)10-16(26)12-28-23)7-15-9-21(32-4)22(33-5)11-17(15)20;1-23(2,22(32)26-6-5-25)31-21-14-8-17(33-3)18(34-4)9-16(14)29-20(30-21)15-11-28-19-13(15)7-12(24)10-27-19;1-2-12-3-4-15(19(31)28-10-20(22,23)24)30(12)16-5-6-25-18(29-16)14-9-27-17-13(14)7-11(21)8-26-17;1-9-2-3-14(18(31)28-8-19(22,23)24)30(9)17-13(21)7-27-16(29-17)12-6-26-15-11(12)4-10(20)5-25-15;;;;/h7-13,30H,6H2,1-5H3,(H,27,31)(H,28,29);7-11H,5-6H2,1-4H3,(H,26,32)(H,27,28)(H,29,30,31);5-9,12,15H,2-4,10H2,1H3,(H,26,27)(H,28,31);4-7,9,14H,2-3,8H2,1H3,(H,25,26)(H,28,31);4*1H/t;;12-,15+;9-,14+;;;;/m..00..../s1.

What are the key properties of 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 1871.67 g/mol, XLogP of 18.43, 24 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxynaphthalen-1-yl]amino]-N-ethyl-2-methylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-5-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R,5S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-5-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159743790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).