2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C20H19Cl2N5O — CID 141465815

IUPAC2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCN(CC(=O)N1CCc2[nH]nc(-c3ccncc3)c2C1)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H19Cl2N5O/c1-26(20-15(21)3-2-4-16(20)22)12-18(28)27-10-7-17-14(11-27)19(25-24-17)13-5-8-23-9-6-13/h2-6,8-9H,7,10-12H2,1H3,(H,24,25)
InChIKeyIYCPMVQVJXUAMR-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.80
Rot. Bonds4

About 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 141465815) has the molecular formula C20H19Cl2N5O and a molecular weight of 416.31 g/mol. Its IUPAC name is 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID141465815
Molecular FormulaC20H19Cl2N5O
Molecular Weight416.31 g/mol
Exact Mass415.10
IUPAC Name2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCN(CC(=O)N1CCc2[nH]nc(-c3ccncc3)c2C1)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H19Cl2N5O/c1-26(20-15(21)3-2-4-16(20)22)12-18(28)27-10-7-17-14(11-27)19(25-24-17)13-5-8-23-9-6-13/h2-6,8-9H,7,10-12H2,1H3,(H,24,25)
InChIKeyIYCPMVQVJXUAMR-UHFFFAOYSA-N
XLogP3.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-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

2-(3-methoxyphenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 56942656
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone
CID 121442732
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone
CID 108726086
3-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108725988
2-(4-methylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121442780
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-4-(2,6-dimethylphenoxy)butan-1-one
CID 108750231
2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 149368062
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 108725845
4-chloro-N-[2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 108750016
1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 108750094

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 141465815) is 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CN(CC(=O)N1CCc2[nH]nc(-c3ccncc3)c2C1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is IYCPMVQVJXUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O/c1-26(20-15(21)3-2-4-16(20)22)12-18(28)27-10-7-17-14(11-27)19(25-24-17)13-5-8-23-9-6-13/h2-6,8-9H,7,10-12H2,1H3,(H,24,25).
What are the key properties of 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 416.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-N-methylanilino)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 141465815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).