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IGZYGOVKBXBASI-UHFFFAOYSA-N

C19H18F3N7O3S — CID 146525828

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3-pyrazol-1-ylpyrrolidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(n3cccn3)C2)ccn1
InChIInChI=1S/C19H18F3N7O3S/c20-19(21,22)12-8-15(18(30)27-13-2-5-24-16(9-13)33(23,31)32)17(25-10-12)28-7-3-14(11-28)29-6-1-4-26-29/h1-2,4-6,8-10,14H,3,7,11H2,(H2,23,31,32)(H,24,27,30)
InChIKeyIGZYGOVKBXBASI-UHFFFAOYSA-N
MW481.46 g/mol
LogP2.04
Rot. Bonds5

About IGZYGOVKBXBASI-UHFFFAOYSA-N

IGZYGOVKBXBASI-UHFFFAOYSA-N (PubChem CID 146525828) has the molecular formula C19H18F3N7O3S and a molecular weight of 481.46 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameIGZYGOVKBXBASI-UHFFFAOYSA-N
PubChem CID146525828
Molecular FormulaC19H18F3N7O3S
Molecular Weight481.46 g/mol
Exact Mass481.11
IUPAC Name2-(3-pyrazol-1-ylpyrrolidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(n3cccn3)C2)ccn1
InChIInChI=1S/C19H18F3N7O3S/c20-19(21,22)12-8-15(18(30)27-13-2-5-24-16(9-13)33(23,31)32)17(25-10-12)28-7-3-14(11-28)29-6-1-4-26-29/h1-2,4-6,8-10,14H,3,7,11H2,(H2,23,31,32)(H,24,27,30)
InChIKeyIGZYGOVKBXBASI-UHFFFAOYSA-N
XLogP2.04
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of IGZYGOVKBXBASI-UHFFFAOYSA-N?
The IUPAC name of IGZYGOVKBXBASI-UHFFFAOYSA-N (CID 146525828) is 2-(3-pyrazol-1-ylpyrrolidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for IGZYGOVKBXBASI-UHFFFAOYSA-N?
The canonical SMILES for IGZYGOVKBXBASI-UHFFFAOYSA-N is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(n3cccn3)C2)ccn1.
What is the InChIKey of IGZYGOVKBXBASI-UHFFFAOYSA-N?
The InChIKey is IGZYGOVKBXBASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O3S/c20-19(21,22)12-8-15(18(30)27-13-2-5-24-16(9-13)33(23,31)32)17(25-10-12)28-7-3-14(11-28)29-6-1-4-26-29/h1-2,4-6,8-10,14H,3,7,11H2,(H2,23,31,32)(H,24,27,30).
What are the key properties of IGZYGOVKBXBASI-UHFFFAOYSA-N?
IGZYGOVKBXBASI-UHFFFAOYSA-N has a molecular weight of 481.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for IGZYGOVKBXBASI-UHFFFAOYSA-N is sourced from PubChem (CID 146525828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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