(1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol

C29H30N2O — CID 21498277

IUPAC(1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol
SMILESCC1CN(Cc2ccccc2)Cc2c(CO)c(-c3ccccc3)n(Cc3ccccc3)c21
InChIInChI=1S/C29H30N2O/c1-22-17-30(18-23-11-5-2-6-12-23)20-26-27(21-32)29(25-15-9-4-10-16-25)31(28(22)26)19-24-13-7-3-8-14-24/h2-16,22,32H,17-21H2,1H3
InChIKeyLIWLXGDKTPZZMX-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.82
Rot. Bonds6

About (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol

(1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol (PubChem CID 21498277) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol
PubChem CID21498277
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Name(1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol
SMILESCC1CN(Cc2ccccc2)Cc2c(CO)c(-c3ccccc3)n(Cc3ccccc3)c21
InChIInChI=1S/C29H30N2O/c1-22-17-30(18-23-11-5-2-6-12-23)20-26-27(21-32)29(25-15-9-4-10-16-25)31(28(22)26)19-24-13-7-3-8-14-24/h2-16,22,32H,17-21H2,1H3
InChIKeyLIWLXGDKTPZZMX-UHFFFAOYSA-N
XLogP5.82
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498284
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(9-benzyl-1,5-dimethyl-1,5,9-triazacyclododec-3-yl)methanol
CID 142177909
6-benzyl-4-butyl-2,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123567925
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
1-benzyl-3-methylpiperidin-4-one
CID 560965
(4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-one
CID 95242083

Frequently Asked Questions

What is the IUPAC name of (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
The IUPAC name of (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol (CID 21498277) is (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol.
What is the SMILES notation for (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
The canonical SMILES for (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol is CC1CN(Cc2ccccc2)Cc2c(CO)c(-c3ccccc3)n(Cc3ccccc3)c21.
What is the InChIKey of (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
The InChIKey is LIWLXGDKTPZZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-22-17-30(18-23-11-5-2-6-12-23)20-26-27(21-32)29(25-15-9-4-10-16-25)31(28(22)26)19-24-13-7-3-8-14-24/h2-16,22,32H,17-21H2,1H3.
What are the key properties of (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol?
(1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol has a molecular weight of 422.57 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dibenzyl-7-methyl-2-phenyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-3-yl)methanol is sourced from PubChem (CID 21498277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).