[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone

C22H30N4O2 — CID 53160743

IUPAC[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(CN2CCc3c(cc(C(=O)N4CCN(C)CC4)n3C)C2)c1
InChIInChI=1S/C22H30N4O2/c1-23-9-11-26(12-10-23)22(27)21-14-18-16-25(8-7-20(18)24(21)2)15-17-5-4-6-19(13-17)28-3/h4-6,13-14H,7-12,15-16H2,1-3H3
InChIKeyRMIKJUIYGILACB-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.98
Rot. Bonds4

About [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53160743) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53160743
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(CN2CCc3c(cc(C(=O)N4CCN(C)CC4)n3C)C2)c1
InChIInChI=1S/C22H30N4O2/c1-23-9-11-26(12-10-23)22(27)21-14-18-16-25(8-7-20(18)24(21)2)15-17-5-4-6-19(13-17)28-3/h4-6,13-14H,7-12,15-16H2,1-3H3
InChIKeyRMIKJUIYGILACB-UHFFFAOYSA-N
XLogP1.98
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 155926291
5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041284
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 28811034
[2-bromo-4-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 46052267
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160790
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134001201
methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
CID 17087369
2-[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19482542
N-ethyl-1,5-bis[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137652

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 53160743) is [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone is COc1cccc(CN2CCc3c(cc(C(=O)N4CCN(C)CC4)n3C)C2)c1.
What is the InChIKey of [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RMIKJUIYGILACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-23-9-11-26(12-10-23)22(27)21-14-18-16-25(8-7-20(18)24(21)2)15-17-5-4-6-19(13-17)28-3/h4-6,13-14H,7-12,15-16H2,1-3H3.
What are the key properties of [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 382.51 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53160743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).