3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide

C122H116Cl2F2N24O13S5 — CID 90778698

About 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide

3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide (PubChem CID 90778698) has the molecular formula C122H116Cl2F2N24O13S5 and a molecular weight of 2395.66 g/mol. Its IUPAC name is 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide
• PubChem CID: 90778698
• Molecular Formula: C122H116Cl2F2N24O13S5
• Molecular Weight: 2395.66 g/mol
• Exact Mass: 2392.71
• IUPAC Name: 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide
• SMILES: C#CCNC(=O)n1c(C)c(Cl)c2c(F)c(Oc3ccnc4cc(C(=O)N5CC[C@H](O)C5)sc34)ccc21.CNC(=O)n1c(C)c(Cl)c2c(F)c(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc21.CNC(=O)n1c(C)cc2cc(Cc3ccnc4cc(-c5nccn5C)sc34)ccc21.Cc1cc2cc(Nc3ccnc4cc(-c5nccn5C)sc34)ccc2n1C(=O)NC(C)C.Cc1cc2cc(Nc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2n1C(=O)NC(C)C
• InChI: InChI=1S/C26H29N5O3S.C25H20ClFN4O4S.C24H22ClFN4O4S.C24H24N6OS.C23H21N5OS/c1-15(2)28-26(34)31-16(3)11-17-12-18(6-7-22(17)31)29-20-8-9-27-21-13-23(35-24(20)21)25(33)30-10-4-5-19(30)14-32;1-3-8-29-25(34)31-13(2)21(26)20-16(31)4-5-17(22(20)27)35-18-6-9-28-15-11-19(36-23(15)18)24(33)30-10-7-14(32)12-30;1-12-20(25)19-15(30(12)24(32)27-2)4-5-16(21(19)26)34-17-6-8-28-14-10-18(35-22(14)17)23(31)29-9-7-13(11-29)33-3;1-14(2)27-24(31)30-15(3)11-16-12-17(5-6-20(16)30)28-18-7-8-25-19-13-21(32-22(18)19)23-26-9-10-29(23)4;1-14-10-17-12-15(4-5-19(17)28(14)23(29)24-2)11-16-6-7-25-18-13-20(30-21(16)18)22-26-8-9-27(22)3/h6-9,11-13,15,19,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,34);1,4-6,9,11,14,32H,7-8,10,12H2,2H3,(H,29,34);4-6,8,10,13H,7,9,11H2,1-3H3,(H,27,32);5-14H,1-4H3,(H,25,28)(H,27,31);4-10,12-13H,11H2,1-3H3,(H,24,29)/t19-;14-;13-;;/m000../s1
• InChIKey: QEGAVMVSZKGSQO-YMSIYBPISA-N
• XLogP: 25.01
• TPSA: 423.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.66
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide?

The IUPAC name of 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide (CID 90778698) is 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide.

What is the SMILES notation for 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide?

The canonical SMILES for 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide is C#CCNC(=O)n1c(C)c(Cl)c2c(F)c(Oc3ccnc4cc(C(=O)N5CC[C@H](O)C5)sc34)ccc21.CNC(=O)n1c(C)c(Cl)c2c(F)c(Oc3ccnc4cc(C(=O)N5CC[C@H](OC)C5)sc34)ccc21.CNC(=O)n1c(C)cc2cc(Cc3ccnc4cc(-c5nccn5C)sc34)ccc21.Cc1cc2cc(Nc3ccnc4cc(-c5nccn5C)sc34)ccc2n1C(=O)NC(C)C.Cc1cc2cc(Nc3ccnc4cc(C(=O)N5CCC[C@H]5CO)sc34)ccc2n1C(=O)NC(C)C.

What is the InChIKey of 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide?

The InChIKey is QEGAVMVSZKGSQO-YMSIYBPISA-N. The full InChI is InChI=1S/C26H29N5O3S.C25H20ClFN4O4S.C24H22ClFN4O4S.C24H24N6OS.C23H21N5OS/c1-15(2)28-26(34)31-16(3)11-17-12-18(6-7-22(17)31)29-20-8-9-27-21-13-23(35-24(20)21)25(33)30-10-4-5-19(30)14-32;1-3-8-29-25(34)31-13(2)21(26)20-16(31)4-5-17(22(20)27)35-18-6-9-28-15-11-19(36-23(15)18)24(33)30-10-7-14(32)12-30;1-12-20(25)19-15(30(12)24(32)27-2)4-5-16(21(19)26)34-17-6-8-28-14-10-18(35-22(14)17)23(31)29-9-7-13(11-29)33-3;1-14(2)27-24(31)30-15(3)11-16-12-17(5-6-20(16)30)28-18-7-8-25-19-13-21(32-22(18)19)23-26-9-10-29(23)4;1-14-10-17-12-15(4-5-19(17)28(14)23(29)24-2)11-16-6-7-25-18-13-20(30-21(16)18)22-26-8-9-27(22)3/h6-9,11-13,15,19,32H,4-5,10,14H2,1-3H3,(H,27,29)(H,28,34);1,4-6,9,11,14,32H,7-8,10,12H2,2H3,(H,29,34);4-6,8,10,13H,7,9,11H2,1-3H3,(H,27,32);5-14H,1-4H3,(H,25,28)(H,27,31);4-10,12-13H,11H2,1-3H3,(H,24,29)/t19-;14-;13-;;/m000../s1.

What are the key properties of 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide?

3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide has a molecular weight of 2395.66 g/mol, XLogP of 25.01, 20 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide is sourced from PubChem (CID 90778698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).