[4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol

C30H29N3O4 — CID 57137491

IUPAC[4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol
SMILESCOc1ccc(Cn2cnc3c(C(O)C(c4ccccc4)c4ccccc4)nc(C(O)O)cc32)cc1C
InChIInChI=1S/C30H29N3O4/c1-19-15-20(13-14-25(19)37-2)17-33-18-31-27-24(33)16-23(30(35)36)32-28(27)29(34)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18,26,29-30,34-36H,17H2,1-2H3
InChIKeyMRAVQYVLTKDRLW-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.65
Rot. Bonds8

About [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol

[4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol (PubChem CID 57137491) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol.

Molecular Properties

Compound Name[4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol
PubChem CID57137491
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name[4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol
SMILESCOc1ccc(Cn2cnc3c(C(O)C(c4ccccc4)c4ccccc4)nc(C(O)O)cc32)cc1C
InChIInChI=1S/C30H29N3O4/c1-19-15-20(13-14-25(19)37-2)17-33-18-31-27-24(33)16-23(30(35)36)32-28(27)29(34)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18,26,29-30,34-36H,17H2,1-2H3
InChIKeyMRAVQYVLTKDRLW-UHFFFAOYSA-N
XLogP4.65
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol?
The IUPAC name of [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol (CID 57137491) is [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol.
What is the SMILES notation for [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol?
The canonical SMILES for [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol is COc1ccc(Cn2cnc3c(C(O)C(c4ccccc4)c4ccccc4)nc(C(O)O)cc32)cc1C.
What is the InChIKey of [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol?
The InChIKey is MRAVQYVLTKDRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-19-15-20(13-14-25(19)37-2)17-33-18-31-27-24(33)16-23(30(35)36)32-28(27)29(34)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18,26,29-30,34-36H,17H2,1-2H3.
What are the key properties of [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol?
[4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol has a molecular weight of 495.58 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-2,2-diphenylethyl)-1-[(4-methoxy-3-methylphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]methanediol is sourced from PubChem (CID 57137491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).