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

C27H27ClN6O — CID 166177893

IUPAC4-[1-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1nc2ncc(C3CN(Cc4cccnc4)C(=O)C4NCCC43)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C27H27ClN6O/c1-17-32-26-24(34(17)15-18-4-6-21(28)7-5-18)11-20(13-31-26)23-16-33(14-19-3-2-9-29-12-19)27(35)25-22(23)8-10-30-25/h2-7,9,11-13,22-23,25,30H,8,10,14-16H2,1H3
InChIKeyIIWPZLYGZIECMN-UHFFFAOYSA-N
MW487.01 g/mol
LogP3.94
Rot. Bonds5

About 4-[1-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 166177893) has the molecular formula C27H27ClN6O and a molecular weight of 487.01 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID166177893
Molecular FormulaC27H27ClN6O
Molecular Weight487.01 g/mol
Exact Mass486.19
IUPAC Name4-[1-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1nc2ncc(C3CN(Cc4cccnc4)C(=O)C4NCCC43)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C27H27ClN6O/c1-17-32-26-24(34(17)15-18-4-6-21(28)7-5-18)11-20(13-31-26)23-16-33(14-19-3-2-9-29-12-19)27(35)25-22(23)8-10-30-25/h2-7,9,11-13,22-23,25,30H,8,10,14-16H2,1H3
InChIKeyIIWPZLYGZIECMN-UHFFFAOYSA-N
XLogP3.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.01
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one (CID 166177893) is 4-[1-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1nc2ncc(C3CN(Cc4cccnc4)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-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is IIWPZLYGZIECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O/c1-17-32-26-24(34(17)15-18-4-6-21(28)7-5-18)11-20(13-31-26)23-16-33(14-19-3-2-9-29-12-19)27(35)25-22(23)8-10-30-25/h2-7,9,11-13,22-23,25,30H,8,10,14-16H2,1H3.
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 487.01 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(pyridin-3-ylmethyl)-2,3,3a,4,5,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166177893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).