6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C23H17F4N5O2S — CID 66730850

IUPAC6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1
InChIInChI=1S/C23H17F4N5O2S/c1-13-8-21-17(9-19(13)24)18(10-28)22(32(21)15-4-3-7-29-11-15)20-6-5-16(12-30-20)35(33,34)31-14(2)23(25,26)27/h3-9,11-12,14,31H,1-2H3/t14-/m0/s1
InChIKeyGRFRSDHSSAFIHN-AWEZNQCLSA-N
MW503.48 g/mol
LogP4.64
Rot. Bonds5

About 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66730850) has the molecular formula C23H17F4N5O2S and a molecular weight of 503.48 g/mol. Its IUPAC name is 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66730850
Molecular FormulaC23H17F4N5O2S
Molecular Weight503.48 g/mol
Exact Mass503.10
IUPAC Name6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1
InChIInChI=1S/C23H17F4N5O2S/c1-13-8-21-17(9-19(13)24)18(10-28)22(32(21)15-4-3-7-29-11-15)20-6-5-16(12-30-20)35(33,34)31-14(2)23(25,26)27/h3-9,11-12,14,31H,1-2H3/t14-/m0/s1
InChIKeyGRFRSDHSSAFIHN-AWEZNQCLSA-N
XLogP4.64
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66730850) is 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1.
What is the InChIKey of 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is GRFRSDHSSAFIHN-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17F4N5O2S/c1-13-8-21-17(9-19(13)24)18(10-28)22(32(21)15-4-3-7-29-11-15)20-6-5-16(12-30-20)35(33,34)31-14(2)23(25,26)27/h3-9,11-12,14,31H,1-2H3/t14-/m0/s1.
What are the key properties of 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 503.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-5-fluoro-6-methyl-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66730850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).