3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C18H16ClN5O2 — CID 163235466

IUPAC3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2)nn2c1C(=O)NCC2
InChIInChI=1S/C18H16ClN5O2/c1-26-17-12(19)3-2-4-13(17)22-15-14(11-5-7-20-8-6-11)23-24-10-9-21-18(25)16(15)24/h2-8,22H,9-10H2,1H3,(H,21,25)
InChIKeyYSWXGJDSDHYCPR-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.09
Rot. Bonds4

About 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163235466) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235466
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccncc2)nn2c1C(=O)NCC2
InChIInChI=1S/C18H16ClN5O2/c1-26-17-12(19)3-2-4-13(17)22-15-14(11-5-7-20-8-6-11)23-24-10-9-21-18(25)16(15)24/h2-8,22H,9-10H2,1H3,(H,21,25)
InChIKeyYSWXGJDSDHYCPR-UHFFFAOYSA-N
XLogP3.09
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one 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

3-(3-chloro-2-methoxyanilino)-2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235472
3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235425
N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide
CID 163235614
(6S)-2-bromo-3-(3-chloro-2-methoxyanilino)-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235615
3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
CID 163224470
2-(2-amino-4-pyridinyl)-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 169006070
(7S)-3-(3-chloro-2-methoxyanilino)-7-methyl-2-(1H-pyrazolo[4,3-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235635
(7S)-3-(3-chloro-2-methoxyanilino)-7-methyl-2-([1,2]thiazolo[4,5-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235486
3-bromo-2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 126455423
N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 142566473
3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408188
3-(3-chloro-2-methoxyanilino)-2-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171399022

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163235466) is 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1c(Cl)cccc1Nc1c(-c2ccncc2)nn2c1C(=O)NCC2.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YSWXGJDSDHYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-26-17-12(19)3-2-4-13(17)22-15-14(11-5-7-20-8-6-11)23-24-10-9-21-18(25)16(15)24/h2-8,22H,9-10H2,1H3,(H,21,25).
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 369.81 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163235466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).