6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C13H16F2N4O4S — CID 175945985

IUPAC6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(F)F)CC1)CC2
InChIInChI=1S/C13H16F2N4O4S/c1-18-9-7(8(17-18)10(16)20)2-5-19(11(9)21)6-13(3-4-13)24(22,23)12(14)15/h12H,2-6H2,1H3,(H2,16,20)
InChIKeyIYUCEWMWLHYURG-UHFFFAOYSA-N
MW362.36 g/mol
LogP-0.31
Rot. Bonds5

About 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 175945985) has the molecular formula C13H16F2N4O4S and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID175945985
Molecular FormulaC13H16F2N4O4S
Molecular Weight362.36 g/mol
Exact Mass362.09
IUPAC Name6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(F)F)CC1)CC2
InChIInChI=1S/C13H16F2N4O4S/c1-18-9-7(8(17-18)10(16)20)2-5-19(11(9)21)6-13(3-4-13)24(22,23)12(14)15/h12H,2-6H2,1H3,(H2,16,20)
InChIKeyIYUCEWMWLHYURG-UHFFFAOYSA-N
XLogP-0.31
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 175945985) is 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(F)F)CC1)CC2.
What is the InChIKey of 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is IYUCEWMWLHYURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O4S/c1-18-9-7(8(17-18)10(16)20)2-5-19(11(9)21)6-13(3-4-13)24(22,23)12(14)15/h12H,2-6H2,1H3,(H2,16,20).
What are the key properties of 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(difluoromethylsulfonyl)cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 175945985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).