[2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C25H23FN4OS — CID 166805404

IUPAC[2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2ccsc2CCN1C(=O)c1cc(C2(C)CC2)n2nc(-c3ccccc3F)cc2n1
InChIInChI=1S/C25H23FN4OS/c1-15-16-8-12-32-21(16)7-11-29(15)24(31)20-13-22(25(2)9-10-25)30-23(27-20)14-19(28-30)17-5-3-4-6-18(17)26/h3-6,8,12-15H,7,9-11H2,1-2H3
InChIKeyKOXKMYDQPJEJSS-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.41
Rot. Bonds3

About [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

[2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 166805404) has the molecular formula C25H23FN4OS and a molecular weight of 446.55 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID166805404
Molecular FormulaC25H23FN4OS
Molecular Weight446.55 g/mol
Exact Mass446.16
IUPAC Name[2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2ccsc2CCN1C(=O)c1cc(C2(C)CC2)n2nc(-c3ccccc3F)cc2n1
InChIInChI=1S/C25H23FN4OS/c1-15-16-8-12-32-21(16)7-11-29(15)24(31)20-13-22(25(2)9-10-25)30-23(27-20)14-19(28-30)17-5-3-4-6-18(17)26/h3-6,8,12-15H,7,9-11H2,1-2H3
InChIKeyKOXKMYDQPJEJSS-UHFFFAOYSA-N
XLogP5.41
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(E)-3-[2-fluoro-3-[7-(1-methylcyclopropyl)-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]prop-2-enoic acid
CID 134431238
6-[3-fluoro-4-[7-(1-methylcyclopropyl)-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]pyridine-3-carboxylic acid
CID 134431146
1-[4-[7-cyclopropyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-3-methylpyrrolidine-3-carboxamide
CID 155312942
methyl (2S)-2-[4-[7-cyclopropyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate
CID 154992197
methane;methyl (1R)-2-[4-[7-cyclopropyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate
CID 158612565
(E)-6-[3-fluoro-4-[7-(1-methylcyclopropyl)-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-2-methanimidoylhex-2-enoic acid
CID 145178596
methyl 8-fluoro-7-[5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-7-(1-methyl-2-propylcyclopropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-2H-chromene-3-carboxylate
CID 145178421
[2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 146638757
(1R)-2-[3-fluoro-4-[5-[(2R)-2-methylazepane-1-carbonyl]-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyclopropane-1-carboxylic acid
CID 134431260
[2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(2R)-2-methylazepan-1-yl]methanone
CID 140862290
methyl (1R)-2-[3-fluoro-4-[5-[(2R)-2-methylazepane-1-carbonyl]-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyclopropane-1-carboxylate
CID 134430961
CID 163904774
CID 163904774

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 166805404) is [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CC1c2ccsc2CCN1C(=O)c1cc(C2(C)CC2)n2nc(-c3ccccc3F)cc2n1.
What is the InChIKey of [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is KOXKMYDQPJEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4OS/c1-15-16-8-12-32-21(16)7-11-29(15)24(31)20-13-22(25(2)9-10-25)30-23(27-20)14-19(28-30)17-5-3-4-6-18(17)26/h3-6,8,12-15H,7,9-11H2,1-2H3.
What are the key properties of [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
[2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 446.55 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 166805404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).