(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

C20H17ClN6O2S — CID 163235486

IUPAC(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
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@@H]2C
InChIInChI=1S/C20H17ClN6O2S/c1-10-8-23-20(28)17-16(25-13-5-3-4-12(21)18(13)29-2)15(26-27(10)17)11-6-7-22-14-9-24-30-19(11)14/h3-7,9-10,25H,8H2,1-2H3,(H,23,28)/t10-/m0/s1
InChIKeyGCVHVQPPBKSVFR-JTQLQIEISA-N
MW440.92 g/mol
LogP4.26
Rot. Bonds4

About (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

(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 (PubChem CID 163235486) has the molecular formula C20H17ClN6O2S and a molecular weight of 440.92 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163235486
Molecular FormulaC20H17ClN6O2S
Molecular Weight440.92 g/mol
Exact Mass440.08
IUPAC Name(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
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@@H]2C
InChIInChI=1S/C20H17ClN6O2S/c1-10-8-23-20(28)17-16(25-13-5-3-4-12(21)18(13)29-2)15(26-27(10)17)11-6-7-22-14-9-24-30-19(11)14/h3-7,9-10,25H,8H2,1-2H3,(H,23,28)/t10-/m0/s1
InChIKeyGCVHVQPPBKSVFR-JTQLQIEISA-N
XLogP4.26
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235634
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
3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235466
3-(3-chloro-2-methoxyanilino)-7-(fluoromethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398654
(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-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235472
20-(3-chloro-2-methoxyanilino)-8-oxa-5,15,19-triazatetracyclo[15.2.1.02,7.013,18]icosa-1(20),2(7),3,5,17-pentaen-16-one
CID 163292476
3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250006
3-(3-chloro-2-methoxyanilino)-2-(6-ethoxy-1,5-naphthyridin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 171398772
(2R,4S)-8-(3-chloro-2-methoxyanilino)-9-[2-(1-methylcyclopropyl)oxypyrido[3,2-d]pyrimidin-8-yl]-5,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-6-one
CID 171399163

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1c(Cl)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@@H]2C.
What is the InChIKey of (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?
The InChIKey is GCVHVQPPBKSVFR-JTQLQIEISA-N. The full InChI is InChI=1S/C20H17ClN6O2S/c1-10-8-23-20(28)17-16(25-13-5-3-4-12(21)18(13)29-2)15(26-27(10)17)11-6-7-22-14-9-24-30-19(11)14/h3-7,9-10,25H,8H2,1-2H3,(H,23,28)/t10-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 440.92 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163235486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).