7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol

C46H49FN8O2 — CID 167701876

IUPAC7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol
SMILESCn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CCC(CO)CC4)nc3)cc21.OCC1CCNCC1
InChIInChI=1S/C23H24N4O.C17H12FN3.C6H13NO/c1-26-21-6-9-24-14-20(21)19-4-2-17(12-22(19)26)18-3-5-23(25-13-18)27-10-7-16(15-28)8-11-27;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;8-5-6-1-3-7-4-2-6/h2-6,9,12-14,16,28H,7-8,10-11,15H2,1H3;2-10H,1H3;6-8H,1-5H2
InChIKeyYMXOFASDMNBRGC-UHFFFAOYSA-N
MW764.95 g/mol
LogP7.90
Rot. Bonds5

About 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol

7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol (PubChem CID 167701876) has the molecular formula C46H49FN8O2 and a molecular weight of 764.95 g/mol. Its IUPAC name is 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol.

Molecular Properties

Compound Name7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol
PubChem CID167701876
Molecular FormulaC46H49FN8O2
Molecular Weight764.95 g/mol
Exact Mass764.40
IUPAC Name7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol
SMILESCn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CCC(CO)CC4)nc3)cc21.OCC1CCNCC1
InChIInChI=1S/C23H24N4O.C17H12FN3.C6H13NO/c1-26-21-6-9-24-14-20(21)19-4-2-17(12-22(19)26)18-3-5-23(25-13-18)27-10-7-16(15-28)8-11-27;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;8-5-6-1-3-7-4-2-6/h2-6,9,12-14,16,28H,7-8,10-11,15H2,1H3;2-10H,1H3;6-8H,1-5H2
InChIKeyYMXOFASDMNBRGC-UHFFFAOYSA-N
XLogP7.90
TPSA117.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.95
LogP ≤ 57.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol?
The IUPAC name of 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol (CID 167701876) is 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol.
What is the SMILES notation for 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol?
The canonical SMILES for 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol is Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CCC(CO)CC4)nc3)cc21.OCC1CCNCC1.
What is the InChIKey of 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol?
The InChIKey is YMXOFASDMNBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C17H12FN3.C6H13NO/c1-26-21-6-9-24-14-20(21)19-4-2-17(12-22(19)26)18-3-5-23(25-13-18)27-10-7-16(15-28)8-11-27;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;8-5-6-1-3-7-4-2-6/h2-6,9,12-14,16,28H,7-8,10-11,15H2,1H3;2-10H,1H3;6-8H,1-5H2.
What are the key properties of 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol?
7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol has a molecular weight of 764.95 g/mol, XLogP of 7.90, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol is sourced from PubChem (CID 167701876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).