1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone

C25H27ClN6O — CID 20948373

IUPAC1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1cc(C)c2c(-n3cccc3)nn(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2n1
InChIInChI=1S/C25H27ClN6O/c1-17-6-7-20(26)15-21(17)29-10-12-30(13-11-29)22(33)16-32-24-23(18(2)14-19(3)27-24)25(28-32)31-8-4-5-9-31/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeyAEVRYYOKCCCLOC-UHFFFAOYSA-N
MW462.99 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone (PubChem CID 20948373) has the molecular formula C25H27ClN6O and a molecular weight of 462.99 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone
PubChem CID20948373
Molecular FormulaC25H27ClN6O
Molecular Weight462.99 g/mol
Exact Mass462.19
IUPAC Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1cc(C)c2c(-n3cccc3)nn(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2n1
InChIInChI=1S/C25H27ClN6O/c1-17-6-7-20(26)15-21(17)29-10-12-30(13-11-29)22(33)16-32-24-23(18(2)14-19(3)27-24)25(28-32)31-8-4-5-9-31/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeyAEVRYYOKCCCLOC-UHFFFAOYSA-N
XLogP4.15
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.99
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetamide
CID 20948315
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[3-methyl-5-(morpholine-4-carbonyl)pyrazol-1-yl]ethanone
CID 42285817
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46339596
2-[1,3-benzothiazol-2-yl(methyl)amino]-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 90605487
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 20948279
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]ethanone
CID 90606109
3-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119829106
7-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]heptan-1-one
CID 119829060
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone (CID 20948373) is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone is Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2n1.
What is the InChIKey of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The InChIKey is AEVRYYOKCCCLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O/c1-17-6-7-20(26)15-21(17)29-10-12-30(13-11-29)22(33)16-32-24-23(18(2)14-19(3)27-24)25(28-32)31-8-4-5-9-31/h4-9,14-15H,10-13,16H2,1-3H3.
What are the key properties of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone has a molecular weight of 462.99 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 20948373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).