4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H13ClFN3O2S — CID 135986475

IUPAC4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2cccc(F)c2)c2c1C(C(=O)c1ccc(Cl)s1)CC(=O)N2
InChIInChI=1S/C18H13ClFN3O2S/c1-9-16-12(17(25)13-5-6-14(19)26-13)8-15(24)21-18(16)23(22-9)11-4-2-3-10(20)7-11/h2-7,12H,8H2,1H3,(H,21,24)
InChIKeyHULUGSGXHADKEP-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.34
Rot. Bonds3

About 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135986475) has the molecular formula C18H13ClFN3O2S and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135986475
Molecular FormulaC18H13ClFN3O2S
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC Name4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2cccc(F)c2)c2c1C(C(=O)c1ccc(Cl)s1)CC(=O)N2
InChIInChI=1S/C18H13ClFN3O2S/c1-9-16-12(17(25)13-5-6-14(19)26-13)8-15(24)21-18(16)23(22-9)11-4-2-3-10(20)7-11/h2-7,12H,8H2,1H3,(H,21,24)
InChIKeyHULUGSGXHADKEP-UHFFFAOYSA-N
XLogP4.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135986475) is 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2cccc(F)c2)c2c1C(C(=O)c1ccc(Cl)s1)CC(=O)N2.
What is the InChIKey of 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HULUGSGXHADKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S/c1-9-16-12(17(25)13-5-6-14(19)26-13)8-15(24)21-18(16)23(22-9)11-4-2-3-10(20)7-11/h2-7,12H,8H2,1H3,(H,21,24).
What are the key properties of 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 389.84 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophene-2-carbonyl)-1-(3-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135986475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).