N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

C19H20F5N5O3S — CID 146525725

IUPACN-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)C2CC2)c1)c1cc(C(F)(F)F)cnc1N1CCCC(F)(F)CC1
InChIInChI=1S/C19H20F5N5O3S/c20-18(21)4-1-6-28(7-5-18)16-15(8-12(9-25-16)19(22,23)24)17(30)27-13-10-26-29(11-13)33(31,32)14-2-3-14/h8-11,14H,1-7H2,(H,27,30)
InChIKeyADPAUIWQXLSQHL-UHFFFAOYSA-N
MW493.46 g/mol
LogP3.52
Rot. Bonds5

About N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525725) has the molecular formula C19H20F5N5O3S and a molecular weight of 493.46 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525725
Molecular FormulaC19H20F5N5O3S
Molecular Weight493.46 g/mol
Exact Mass493.12
IUPAC NameN-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)C2CC2)c1)c1cc(C(F)(F)F)cnc1N1CCCC(F)(F)CC1
InChIInChI=1S/C19H20F5N5O3S/c20-18(21)4-1-6-28(7-5-18)16-15(8-12(9-25-16)19(22,23)24)17(30)27-13-10-26-29(11-13)33(31,32)14-2-3-14/h8-11,14H,1-7H2,(H,27,30)
InChIKeyADPAUIWQXLSQHL-UHFFFAOYSA-N
XLogP3.52
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525696
tert-butyl N-[[4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]sulfonyl]carbamate
CID 156902015
2-(azepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151302120
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525835
2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525911
methyl 1-[3-[(3-sulfamoylphenyl)carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]azepane-4-carboxylate
CID 150043236
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525794
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;methanol;methylsulfanylmethane
CID 176694650
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 167111744

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525725) is N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1cnn(S(=O)(=O)C2CC2)c1)c1cc(C(F)(F)F)cnc1N1CCCC(F)(F)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ADPAUIWQXLSQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N5O3S/c20-18(21)4-1-6-28(7-5-18)16-15(8-12(9-25-16)19(22,23)24)17(30)27-13-10-26-29(11-13)33(31,32)14-2-3-14/h8-11,14H,1-7H2,(H,27,30).
What are the key properties of N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 493.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).