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

C24H19F4N5O2S — CID 66731100

IUPAC6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1
InChIInChI=1S/C24H19F4N5O2S/c1-3-15-9-22-18(10-20(15)25)19(11-29)23(33(22)16-5-4-8-30-12-16)21-7-6-17(13-31-21)36(34,35)32-14(2)24(26,27)28/h4-10,12-14,32H,3H2,1-2H3/t14-/m0/s1
InChIKeyFGJOQEFNZHHCLU-AWEZNQCLSA-N
MW517.51 g/mol
LogP4.89
Rot. Bonds6

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

6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66731100) has the molecular formula C24H19F4N5O2S and a molecular weight of 517.51 g/mol. Its IUPAC name is 6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66731100
Molecular FormulaC24H19F4N5O2S
Molecular Weight517.51 g/mol
Exact Mass517.12
IUPAC Name6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1
InChIInChI=1S/C24H19F4N5O2S/c1-3-15-9-22-18(10-20(15)25)19(11-29)23(33(22)16-5-4-8-30-12-16)21-7-6-17(13-31-21)36(34,35)32-14(2)24(26,27)28/h4-10,12-14,32H,3H2,1-2H3/t14-/m0/s1
InChIKeyFGJOQEFNZHHCLU-AWEZNQCLSA-N
XLogP4.89
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66731100) is 6-(3-cyano-6-ethyl-5-fluoro-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-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCc1cc2c(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-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is FGJOQEFNZHHCLU-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H19F4N5O2S/c1-3-15-9-22-18(10-20(15)25)19(11-29)23(33(22)16-5-4-8-30-12-16)21-7-6-17(13-31-21)36(34,35)32-14(2)24(26,27)28/h4-10,12-14,32H,3H2,1-2H3/t14-/m0/s1.
What are the key properties of 6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 517.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66731100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).