6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide

C95H90FN33O5 — CID 158684481

About 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide

6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide (PubChem CID 158684481) has the molecular formula C95H90FN33O5 and a molecular weight of 1792.99 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
• PubChem CID: 158684481
• Molecular Formula: C95H90FN33O5
• Molecular Weight: 1792.99 g/mol
• Exact Mass: 1791.78
• IUPAC Name: 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
• SMILES: Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3cnn(C)c3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4nocc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccc(F)cc3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cnc[nH]3)[nH]c12
• InChI: InChI=1S/C25H22FN7O.C24H25N9O.C24H22N8O2.C22H21N9O/c1-15-9-19(30-25-27-8-7-20(32-25)22-13-33(2)14-29-22)10-17-11-21(31-23(15)17)24(34)28-12-16-3-5-18(26)6-4-16;1-15-7-18(28-24-25-6-5-19(30-24)21-13-31(2)14-26-21)8-17-9-20(29-22(15)17)23(34)32(3)11-16-10-27-33(4)12-16;1-14-7-17(27-24-25-5-3-19(29-24)21-11-31(2)13-26-21)8-15-9-20(28-22(14)15)23(33)32-6-4-18-16(10-32)12-34-30-18;1-13-5-15(28-22-24-4-3-17(30-22)19-10-31(2)12-27-19)6-14-7-18(29-20(13)14)21(32)25-9-16-8-23-11-26-16/h3-11,13-14,31H,12H2,1-2H3,(H,28,34)(H,27,30,32);5-10,12-14,29H,11H2,1-4H3,(H,25,28,30);3,5,7-9,11-13,28H,4,6,10H2,1-2H3,(H,25,27,29);3-8,10-12,29H,9H2,1-2H3,(H,23,26)(H,25,32)(H,24,28,30)
• InChIKey: IFOAUEJXMCEJSS-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 457.03 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.99
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?

The IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide (CID 158684481) is 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide.

What is the SMILES notation for 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?

The canonical SMILES for 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide is Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3cnn(C)c3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4nocc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccc(F)cc3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cnc[nH]3)[nH]c12.

What is the InChIKey of 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?

The InChIKey is IFOAUEJXMCEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O.C24H25N9O.C24H22N8O2.C22H21N9O/c1-15-9-19(30-25-27-8-7-20(32-25)22-13-33(2)14-29-22)10-17-11-21(31-23(15)17)24(34)28-12-16-3-5-18(26)6-4-16;1-15-7-18(28-24-25-6-5-19(30-24)21-13-31(2)14-26-21)8-17-9-20(29-22(15)17)23(34)32(3)11-16-10-27-33(4)12-16;1-14-7-17(27-24-25-5-3-19(29-24)21-11-31(2)13-26-21)8-15-9-20(28-22(14)15)23(33)32-6-4-18-16(10-32)12-34-30-18;1-13-5-15(28-22-24-4-3-17(30-22)19-10-31(2)12-27-19)6-14-7-18(29-20(13)14)21(32)25-9-16-8-23-11-26-16/h3-11,13-14,31H,12H2,1-2H3,(H,28,34)(H,27,30,32);5-10,12-14,29H,11H2,1-4H3,(H,25,28,30);3,5,7-9,11-13,28H,4,6,10H2,1-2H3,(H,25,27,29);3-8,10-12,29H,9H2,1-2H3,(H,23,26)(H,25,32)(H,24,28,30).

What are the key properties of 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?

6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide has a molecular weight of 1792.99 g/mol, XLogP of 14.56, 22 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-(1H-imidazol-5-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 158684481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).