(6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide

C25H20F7N5O5S — CID 155116002

IUPAC(6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](c2ccc(OCC(F)(F)F)cc2F)(C(F)(F)F)C3)nc1
InChIInChI=1S/C25H20F7N5O5S/c1-12-2-7-18(33-10-12)37-20(22(39)36-43(40,41)14-4-5-14)19-17(35-37)9-23(25(30,31)32,34-21(19)38)15-6-3-13(8-16(15)26)42-11-24(27,28)29/h2-3,6-8,10,14H,4-5,9,11H2,1H3,(H,34,38)(H,36,39)/t23-/m0/s1
InChIKeyXDAZZPZCCOFTNI-QHCPKHFHSA-N
MW635.52 g/mol
LogP3.62
Rot. Bonds7

About (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide

(6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155116002) has the molecular formula C25H20F7N5O5S and a molecular weight of 635.52 g/mol. Its IUPAC name is (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155116002
Molecular FormulaC25H20F7N5O5S
Molecular Weight635.52 g/mol
Exact Mass635.11
IUPAC Name(6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3c(c2C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](c2ccc(OCC(F)(F)F)cc2F)(C(F)(F)F)C3)nc1
InChIInChI=1S/C25H20F7N5O5S/c1-12-2-7-18(33-10-12)37-20(22(39)36-43(40,41)14-4-5-14)19-17(35-37)9-23(25(30,31)32,34-21(19)38)15-6-3-13(8-16(15)26)42-11-24(27,28)29/h2-3,6-8,10,14H,4-5,9,11H2,1H3,(H,34,38)(H,36,39)/t23-/m0/s1
InChIKeyXDAZZPZCCOFTNI-QHCPKHFHSA-N
XLogP3.62
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 155116002) is (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(-n2nc3c(c2C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](c2ccc(OCC(F)(F)F)cc2F)(C(F)(F)F)C3)nc1.
What is the InChIKey of (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is XDAZZPZCCOFTNI-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H20F7N5O5S/c1-12-2-7-18(33-10-12)37-20(22(39)36-43(40,41)14-4-5-14)19-17(35-37)9-23(25(30,31)32,34-21(19)38)15-6-3-13(8-16(15)26)42-11-24(27,28)29/h2-3,6-8,10,14H,4-5,9,11H2,1H3,(H,34,38)(H,36,39)/t23-/m0/s1.
What are the key properties of (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide?
(6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 635.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclopropylsulfonyl-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-2-pyridinyl)-4-oxo-6-(trifluoromethyl)-5,7-dihydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155116002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).