3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide

C19H23F2N5O3S — CID 171772180

IUPAC3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCc1c(C(C)(F)F)nn(CC2CCC23CC3)c1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C19H23F2N5O3S/c1-11-15(17(27)24-13-4-8-23-14(9-13)30(22,28)29)26(25-16(11)18(2,20)21)10-12-3-5-19(12)6-7-19/h4,8-9,12H,3,5-7,10H2,1-2H3,(H2,22,28,29)(H,23,24,27)
InChIKeySFDVRDGAHYUPGD-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.79
Rot. Bonds6

About 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide

3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide (PubChem CID 171772180) has the molecular formula C19H23F2N5O3S and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
PubChem CID171772180
Molecular FormulaC19H23F2N5O3S
Molecular Weight439.49 g/mol
Exact Mass439.15
IUPAC Name3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
SMILESCc1c(C(C)(F)F)nn(CC2CCC23CC3)c1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C19H23F2N5O3S/c1-11-15(17(27)24-13-4-8-23-14(9-13)30(22,28)29)26(25-16(11)18(2,20)21)10-12-3-5-19(12)6-7-19/h4,8-9,12H,3,5-7,10H2,1-2H3,(H2,22,28,29)(H,23,24,27)
InChIKeySFDVRDGAHYUPGD-UHFFFAOYSA-N
XLogP2.79
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide (CID 171772180) is 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide is Cc1c(C(C)(F)F)nn(CC2CCC23CC3)c1C(=O)Nc1ccnc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is SFDVRDGAHYUPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O3S/c1-11-15(17(27)24-13-4-8-23-14(9-13)30(22,28)29)26(25-16(11)18(2,20)21)10-12-3-5-19(12)6-7-19/h4,8-9,12H,3,5-7,10H2,1-2H3,(H2,22,28,29)(H,23,24,27).
What are the key properties of 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide?
3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 171772180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).