(7S)-3-(3-fluoro-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

C20H17FN6O2S — CID 163235407

IUPAC(7S)-3-(3-fluoro-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(F)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@@H]2C
InChIInChI=1S/C20H17FN6O2S/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
InChIKeyDBPBXVLMIDSSIL-JTQLQIEISA-N
MW424.46 g/mol
LogP3.75
Rot. Bonds4

About (7S)-3-(3-fluoro-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-fluoro-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 163235407) has the molecular formula C20H17FN6O2S and a molecular weight of 424.46 g/mol. Its IUPAC name is (7S)-3-(3-fluoro-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-fluoro-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 CID163235407
Molecular FormulaC20H17FN6O2S
Molecular Weight424.46 g/mol
Exact Mass424.11
IUPAC Name(7S)-3-(3-fluoro-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(F)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@@H]2C
InChIInChI=1S/C20H17FN6O2S/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
InChIKeyDBPBXVLMIDSSIL-JTQLQIEISA-N
XLogP3.75
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S)-3-(3-fluoro-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

N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 10884046
N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11036641
N-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11133602
N-[2-methoxy-5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 121231216
US10301306, Example 183
CID 146012505
US20260091026, Example 58
CID 178265795
US20260091026, Example 114
CID 178265828
1-(2-methoxyphenyl)-N-[3-(1H-pyrazol-1-yl)propyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 71793947
4-(3-fluoro-2-methoxyanilino)-6-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 141634824
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
CID 146457212
[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
CID 146480867

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(3-fluoro-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-fluoro-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 163235407) is (7S)-3-(3-fluoro-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-fluoro-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-fluoro-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(F)cccc1Nc1c(-c2ccnc3cnsc23)nn2c1C(=O)NC[C@@H]2C.
What is the InChIKey of (7S)-3-(3-fluoro-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 DBPBXVLMIDSSIL-JTQLQIEISA-N. The full InChI is InChI=1S/C20H17FN6O2S/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-fluoro-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-fluoro-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 424.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(3-fluoro-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 163235407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).