1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide

C12H16F2N6O2S — CID 124618936

IUPAC1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide
SMILESCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)CC2
InChIInChI=1S/C12H16F2N6O2S/c1-8-16-12-3-2-9(5-20(12)17-8)18-23(21,22)10-4-15-19(6-10)7-11(13)14/h4,6,9,11,18H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyKEQYCNPTMGGWNO-VIFPVBQESA-N
MW346.36 g/mol
LogP0.34
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide (PubChem CID 124618936) has the molecular formula C12H16F2N6O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide
PubChem CID124618936
Molecular FormulaC12H16F2N6O2S
Molecular Weight346.36 g/mol
Exact Mass346.10
IUPAC Name1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide
SMILESCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)CC2
InChIInChI=1S/C12H16F2N6O2S/c1-8-16-12-3-2-9(5-20(12)17-8)18-23(21,22)10-4-15-19(6-10)7-11(13)14/h4,6,9,11,18H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyKEQYCNPTMGGWNO-VIFPVBQESA-N
XLogP0.34
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide (CID 124618936) is 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide is Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)CC2.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide?
The InChIKey is KEQYCNPTMGGWNO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F2N6O2S/c1-8-16-12-3-2-9(5-20(12)17-8)18-23(21,22)10-4-15-19(6-10)7-11(13)14/h4,6,9,11,18H,2-3,5,7H2,1H3/t9-/m0/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 124618936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).