4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one

C23H27N5O2 — CID 166177883

IUPAC4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1ccc(Cn2c(C)nc3ncc(C4CN(C)C(=O)C5NCCC54)cc32)cc1
InChIInChI=1S/C23H27N5O2/c1-14-26-22-20(28(14)12-15-4-6-17(30-3)7-5-15)10-16(11-25-22)19-13-27(2)23(29)21-18(19)8-9-24-21/h4-7,10-11,18-19,21,24H,8-9,12-13H2,1-3H3
InChIKeyTXOIOQDMWCQSAX-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.33
Rot. Bonds4

About 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one

4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166177883) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID166177883
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1ccc(Cn2c(C)nc3ncc(C4CN(C)C(=O)C5NCCC54)cc32)cc1
InChIInChI=1S/C23H27N5O2/c1-14-26-22-20(28(14)12-15-4-6-17(30-3)7-5-15)10-16(11-25-22)19-13-27(2)23(29)21-18(19)8-9-24-21/h4-7,10-11,18-19,21,24H,8-9,12-13H2,1-3H3
InChIKeyTXOIOQDMWCQSAX-UHFFFAOYSA-N
XLogP2.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one 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 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one (CID 166177883) is 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one is COc1ccc(Cn2c(C)nc3ncc(C4CN(C)C(=O)C5NCCC54)cc32)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is TXOIOQDMWCQSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-26-22-20(28(14)12-15-4-6-17(30-3)7-5-15)10-16(11-25-22)19-13-27(2)23(29)21-18(19)8-9-24-21/h4-7,10-11,18-19,21,24H,8-9,12-13H2,1-3H3.
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 405.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-methyl-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166177883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).