5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C22H19F3N6O3S — CID 66730822

IUPAC5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cnccn1
InChIInChI=1S/C22H19F3N6O3S/c1-12-3-6-17-15(9-12)19(21(26)32)20(31(17)18-11-27-7-8-28-18)16-5-4-14(10-29-16)35(33,34)30-13(2)22(23,24)25/h3-11,13,30H,1-2H3,(H2,26,32)/t13-/m0/s1
InChIKeyFDZAEBJZFQEHGD-ZDUSSCGKSA-N
MW504.49 g/mol
LogP3.12
Rot. Bonds6

About 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 66730822) has the molecular formula C22H19F3N6O3S and a molecular weight of 504.49 g/mol. Its IUPAC name is 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
PubChem CID66730822
Molecular FormulaC22H19F3N6O3S
Molecular Weight504.49 g/mol
Exact Mass504.12
IUPAC Name5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cnccn1
InChIInChI=1S/C22H19F3N6O3S/c1-12-3-6-17-15(9-12)19(21(26)32)20(31(17)18-11-27-7-8-28-18)16-5-4-14(10-29-16)35(33,34)30-13(2)22(23,24)25/h3-11,13,30H,1-2H3,(H2,26,32)/t13-/m0/s1
InChIKeyFDZAEBJZFQEHGD-ZDUSSCGKSA-N
XLogP3.12
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 66730822) is 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is Cc1ccc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cnccn1.
What is the InChIKey of 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The InChIKey is FDZAEBJZFQEHGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H19F3N6O3S/c1-12-3-6-17-15(9-12)19(21(26)32)20(31(17)18-11-27-7-8-28-18)16-5-4-14(10-29-16)35(33,34)30-13(2)22(23,24)25/h3-11,13,30H,1-2H3,(H2,26,32)/t13-/m0/s1.
What are the key properties of 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 504.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrazin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 66730822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).