1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide

C87H100Cl3N13O5 — CID 158360472

About 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide

1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide (PubChem CID 158360472) has the molecular formula C87H100Cl3N13O5 and a molecular weight of 1514.20 g/mol. Its IUPAC name is 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide
• PubChem CID: 158360472
• Molecular Formula: C87H100Cl3N13O5
• Molecular Weight: 1514.20 g/mol
• Exact Mass: 1511.70
• IUPAC Name: 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide
• SMILES: CC(O)(Cn1c2c(c3cc(Cl)ccc31)CN(C1CCC1)CC2)c1cccnc1.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cc1Cl)CCN(C)C3.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(N)=O)nc2)CCN(C)C1.Cc1ccc2c(c1Cl)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1
• InChI: InChI=1S/C23H26ClN3O.C22H26N4O2.2C21H24ClN3O/c1-23(28,16-4-3-10-25-13-16)15-27-21-8-7-17(24)12-19(21)20-14-26(11-9-22(20)27)18-5-2-6-18;1-14-4-7-19-16(10-14)17-12-25(3)9-8-20(17)26(19)13-22(2,28)15-5-6-18(21(23)27)24-11-15;1-14-6-7-18-19(20(14)22)16-12-24(3)10-8-17(16)25(18)13-21(2,26)15-5-4-9-23-11-15;1-14-9-16-17-12-24(3)8-6-19(17)25(20(16)10-18(14)22)13-21(2,26)15-5-4-7-23-11-15/h3-4,7-8,10,12-13,18,28H,2,5-6,9,11,14-15H2,1H3;4-7,10-11,28H,8-9,12-13H2,1-3H3,(H2,23,27);4-7,9,11,26H,8,10,12-13H2,1-3H3;4-5,7,9-11,26H,6,8,12-13H2,1-3H3
• InChIKey: GTKFGMIDIOGMJZ-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 208.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1514.20
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide?

The IUPAC name of 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide (CID 158360472) is 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide is CC(O)(Cn1c2c(c3cc(Cl)ccc31)CN(C1CCC1)CC2)c1cccnc1.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cc1Cl)CCN(C)C3.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(N)=O)nc2)CCN(C)C1.Cc1ccc2c(c1Cl)c1c(n2CC(C)(O)c2cccnc2)CCN(C)C1.

What is the InChIKey of 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide?

The InChIKey is GTKFGMIDIOGMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O.C22H26N4O2.2C21H24ClN3O/c1-23(28,16-4-3-10-25-13-16)15-27-21-8-7-17(24)12-19(21)20-14-26(11-9-22(20)27)18-5-2-6-18;1-14-4-7-19-16(10-14)17-12-25(3)9-8-20(17)26(19)13-22(2,28)15-5-6-18(21(23)27)24-11-15;1-14-6-7-18-19(20(14)22)16-12-24(3)10-8-17(16)25(18)13-21(2,26)15-5-4-9-23-11-15;1-14-9-16-17-12-24(3)8-6-19(17)25(20(16)10-18(14)22)13-21(2,26)15-5-4-7-23-11-15/h3-4,7-8,10,12-13,18,28H,2,5-6,9,11,14-15H2,1H3;4-7,10-11,28H,8-9,12-13H2,1-3H3,(H2,23,27);4-7,9,11,26H,8,10,12-13H2,1-3H3;4-5,7,9-11,26H,6,8,12-13H2,1-3H3.

What are the key properties of 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide?

1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide has a molecular weight of 1514.20 g/mol, XLogP of 14.63, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-chloro-2-cyclobutyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-chloro-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158360472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).