1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C22H24N2 — CID 21498263

IUPAC1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCc1cc2c(n1Cc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H24N2/c1-18-14-21-17-23(15-19-8-4-2-5-9-19)13-12-22(21)24(18)16-20-10-6-3-7-11-20/h2-11,14H,12-13,15-17H2,1H3
InChIKeyFAIXJVXSZZWYCC-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.40
Rot. Bonds4

About 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 21498263) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID21498263
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCc1cc2c(n1Cc1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H24N2/c1-18-14-21-17-23(15-19-8-4-2-5-9-19)13-12-22(21)24(18)16-20-10-6-3-7-11-20/h2-11,14H,12-13,15-17H2,1H3
InChIKeyFAIXJVXSZZWYCC-UHFFFAOYSA-N
XLogP4.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213216
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 21498263) is 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is Cc1cc2c(n1Cc1ccccc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is FAIXJVXSZZWYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-18-14-21-17-23(15-19-8-4-2-5-9-19)13-12-22(21)24(18)16-20-10-6-3-7-11-20/h2-11,14H,12-13,15-17H2,1H3.
What are the key properties of 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 316.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 21498263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).