N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide

C15H22F2N4O3S — CID 146114394

IUPACN-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCn1ncc2c1CCN(S(C)(=O)=O)C2C(=O)NCCC1CC(F)(F)C1
InChIInChI=1S/C15H22F2N4O3S/c1-20-12-4-6-21(25(2,23)24)13(11(12)9-19-20)14(22)18-5-3-10-7-15(16,17)8-10/h9-10,13H,3-8H2,1-2H3,(H,18,22)
InChIKeySOTOPPOQXTZOMP-UHFFFAOYSA-N
MW376.43 g/mol
LogP0.83
Rot. Bonds5

About N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide

N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide (PubChem CID 146114394) has the molecular formula C15H22F2N4O3S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
PubChem CID146114394
Molecular FormulaC15H22F2N4O3S
Molecular Weight376.43 g/mol
Exact Mass376.14
IUPAC NameN-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCn1ncc2c1CCN(S(C)(=O)=O)C2C(=O)NCCC1CC(F)(F)C1
InChIInChI=1S/C15H22F2N4O3S/c1-20-12-4-6-21(25(2,23)24)13(11(12)9-19-20)14(22)18-5-3-10-7-15(16,17)8-10/h9-10,13H,3-8H2,1-2H3,(H,18,22)
InChIKeySOTOPPOQXTZOMP-UHFFFAOYSA-N
XLogP0.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide (CID 146114394) is N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide is Cn1ncc2c1CCN(S(C)(=O)=O)C2C(=O)NCCC1CC(F)(F)C1.
What is the InChIKey of N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The InChIKey is SOTOPPOQXTZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3S/c1-20-12-4-6-21(25(2,23)24)13(11(12)9-19-20)14(22)18-5-3-10-7-15(16,17)8-10/h9-10,13H,3-8H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclobutyl)ethyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 146114394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).