N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol

C93H113F3N14O5 — CID 158780089

About N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol

N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol (PubChem CID 158780089) has the molecular formula C93H113F3N14O5 and a molecular weight of 1564.01 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol
• PubChem CID: 158780089
• Molecular Formula: C93H113F3N14O5
• Molecular Weight: 1564.01 g/mol
• Exact Mass: 1562.90
• IUPAC Name: N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N(C)CC3CC3)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(N(C)C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(CC(F)F)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnccc2F)CCN(C)C1
• InChI: InChI=1S/C27H34N4O2.C23H30N4O.C22H25F2N3O.C21H24FN3O/c1-18-5-10-24-21(13-18)22-16-29(3)12-11-25(22)31(24)17-27(2,33)20-8-9-23(28-14-20)26(32)30(4)15-19-6-7-19;1-16-6-8-20-18(12-16)19-14-26(5)11-10-21(19)27(20)15-23(2,28)17-7-9-22(24-13-17)25(3)4;1-15-5-6-19-17(10-15)18-12-26(13-21(23)24)9-7-20(18)27(19)14-22(2,28)16-4-3-8-25-11-16;1-14-4-5-19-15(10-14)16-12-24(3)9-7-20(16)25(19)13-21(2,26)17-11-23-8-6-18(17)22/h5,8-10,13-14,19,33H,6-7,11-12,15-17H2,1-4H3;6-9,12-13,28H,10-11,14-15H2,1-5H3;3-6,8,10-11,21,28H,7,9,12-14H2,1-2H3;4-6,8,10-11,26H,7,9,12-13H2,1-3H3
• InChIKey: IQYQSGHOYARVSZ-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 188.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1564.01
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol?

The IUPAC name of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol (CID 158780089) is N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol.

What is the SMILES notation for N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol?

The canonical SMILES for N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N(C)CC3CC3)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(N(C)C)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN(CC(F)F)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnccc2F)CCN(C)C1.

What is the InChIKey of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol?

The InChIKey is IQYQSGHOYARVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2.C23H30N4O.C22H25F2N3O.C21H24FN3O/c1-18-5-10-24-21(13-18)22-16-29(3)12-11-25(22)31(24)17-27(2,33)20-8-9-23(28-14-20)26(32)30(4)15-19-6-7-19;1-16-6-8-20-18(12-16)19-14-26(5)11-10-21(19)27(20)15-23(2,28)17-7-9-22(24-13-17)25(3)4;1-15-5-6-19-17(10-15)18-12-26(13-21(23)24)9-7-20(18)27(19)14-22(2,28)16-4-3-8-25-11-16;1-14-4-5-19-15(10-14)16-12-24(3)9-7-20(16)25(19)13-21(2,26)17-11-23-8-6-18(17)22/h5,8-10,13-14,19,33H,6-7,11-12,15-17H2,1-4H3;6-9,12-13,28H,10-11,14-15H2,1-5H3;3-6,8,10-11,21,28H,7,9,12-14H2,1-2H3;4-6,8,10-11,26H,7,9,12-13H2,1-3H3.

What are the key properties of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol?

N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol has a molecular weight of 1564.01 g/mol, XLogP of 14.28, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide;1-[2-(2,2-difluoroethyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;2-[6-(dimethylamino)-3-pyridinyl]-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluoro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 158780089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).