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

C22H21ClN8O2 — CID 163235472

IUPAC3-(3-chloro-2-methoxyanilino)-2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc(Nc3ccn(C)n3)c2)nn2c1C(=O)NCC2
InChIInChI=1S/C22H21ClN8O2/c1-30-10-7-16(28-30)27-17-12-13(6-8-24-17)18-19(20-22(32)25-9-11-31(20)29-18)26-15-5-3-4-14(23)21(15)33-2/h3-8,10,12,26H,9,11H2,1-2H3,(H,25,32)(H,24,27,28)
InChIKeyMRWALFXOAKAHHB-UHFFFAOYSA-N
MW464.92 g/mol
LogP3.57
Rot. Bonds6

About 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

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 (PubChem CID 163235472) has the molecular formula C22H21ClN8O2 and a molecular weight of 464.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235472
Molecular FormulaC22H21ClN8O2
Molecular Weight464.92 g/mol
Exact Mass464.15
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc(Nc3ccn(C)n3)c2)nn2c1C(=O)NCC2
InChIInChI=1S/C22H21ClN8O2/c1-30-10-7-16(28-30)27-17-12-13(6-8-24-17)18-19(20-22(32)25-9-11-31(20)29-18)26-15-5-3-4-14(23)21(15)33-2/h3-8,10,12,26H,9,11H2,1-2H3,(H,25,32)(H,24,27,28)
InChIKeyMRWALFXOAKAHHB-UHFFFAOYSA-N
XLogP3.57
TPSA110.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235466
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
3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235425
2-(2-amino-4-pyridinyl)-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 169006070
(6S)-2-bromo-3-(3-chloro-2-methoxyanilino)-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235615
(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-(3-chloro-2-methoxyanilino)-2-[2-[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250188
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
N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611
2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 79770919
6-chloro-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438612

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(Cl)cccc1Nc1c(-c2ccnc(Nc3ccn(C)n3)c2)nn2c1C(=O)NCC2.
What is the InChIKey of 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?
The InChIKey is MRWALFXOAKAHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8O2/c1-30-10-7-16(28-30)27-17-12-13(6-8-24-17)18-19(20-22(32)25-9-11-31(20)29-18)26-15-5-3-4-14(23)21(15)33-2/h3-8,10,12,26H,9,11H2,1-2H3,(H,25,32)(H,24,27,28).
What are the key properties of 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?
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 has a molecular weight of 464.92 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163235472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).