1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one

C25H25ClN4O — CID 161105509

IUPAC1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
SMILESCN1CCN(c2cnc3c(c2)C(c2ccn(Cc4cccc(Cl)c4)c(=O)c2)=CC3)CC1
InChIInChI=1S/C25H25ClN4O/c1-28-9-11-29(12-10-28)21-15-23-22(5-6-24(23)27-16-21)19-7-8-30(25(31)14-19)17-18-3-2-4-20(26)13-18/h2-5,7-8,13-16H,6,9-12,17H2,1H3
InChIKeyUIZNDXXFJYNJTL-UHFFFAOYSA-N
MW432.96 g/mol
LogP3.68
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one

1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one (PubChem CID 161105509) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
PubChem CID161105509
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
SMILESCN1CCN(c2cnc3c(c2)C(c2ccn(Cc4cccc(Cl)c4)c(=O)c2)=CC3)CC1
InChIInChI=1S/C25H25ClN4O/c1-28-9-11-29(12-10-28)21-15-23-22(5-6-24(23)27-16-21)19-7-8-30(25(31)14-19)17-18-3-2-4-20(26)13-18/h2-5,7-8,13-16H,6,9-12,17H2,1H3
InChIKeyUIZNDXXFJYNJTL-UHFFFAOYSA-N
XLogP3.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
CID 158629782
1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
CID 157089905
[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl dihydrogen phosphate
CID 135332484
2-tert-butyl-4-[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylic acid
CID 135332576
1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one
CID 129163182
1-[(3-chloro-4-methylphenyl)methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170021201
5-(3-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]-7H-cyclopenta[b]pyridine
CID 164989840
1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 161080930
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
1-[(3,4-dichlorophenyl)methyl]-4-(1-sulfanyl-5-thiomorpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311925
1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 135332467

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one (CID 161105509) is 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one is CN1CCN(c2cnc3c(c2)C(c2ccn(Cc4cccc(Cl)c4)c(=O)c2)=CC3)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
The InChIKey is UIZNDXXFJYNJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-28-9-11-29(12-10-28)21-15-23-22(5-6-24(23)27-16-21)19-7-8-30(25(31)14-19)17-18-3-2-4-20(26)13-18/h2-5,7-8,13-16H,6,9-12,17H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one?
1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one has a molecular weight of 432.96 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one is sourced from PubChem (CID 161105509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).