4-[1-[(4-chlorophenyl)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

C22H24ClN5O — CID 166177882

IUPAC4-[1-[(4-chlorophenyl)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
SMILESCc1nc2ncc(C3CN(C)C(=O)C4NCCC43)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN5O/c1-13-26-21-19(28(13)11-14-3-5-16(23)6-4-14)9-15(10-25-21)18-12-27(2)22(29)20-17(18)7-8-24-20/h3-6,9-10,17-18,20,24H,7-8,11-12H2,1-2H3
InChIKeyPKOOUVHYFQNQFG-UHFFFAOYSA-N
MW409.92 g/mol
LogP2.98
Rot. Bonds3

About 4-[1-[(4-chlorophenyl)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-chlorophenyl)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 166177882) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)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-chlorophenyl)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 CID166177882
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name4-[1-[(4-chlorophenyl)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
SMILESCc1nc2ncc(C3CN(C)C(=O)C4NCCC43)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN5O/c1-13-26-21-19(28(13)11-14-3-5-16(23)6-4-14)9-15(10-25-21)18-12-27(2)22(29)20-17(18)7-8-24-20/h3-6,9-10,17-18,20,24H,7-8,11-12H2,1-2H3
InChIKeyPKOOUVHYFQNQFG-UHFFFAOYSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(4-chlorophenyl)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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)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-chlorophenyl)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 166177882) is 4-[1-[(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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 Cc1nc2ncc(C3CN(C)C(=O)C4NCCC43)cc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)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 PKOOUVHYFQNQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-13-26-21-19(28(13)11-14-3-5-16(23)6-4-14)9-15(10-25-21)18-12-27(2)22(29)20-17(18)7-8-24-20/h3-6,9-10,17-18,20,24H,7-8,11-12H2,1-2H3.
What are the key properties of 4-[1-[(4-chlorophenyl)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-chlorophenyl)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 409.92 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)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 166177882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).