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

C24H18F4N6O2S — CID 66731008

IUPAC6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ncccn2)nc1)C(F)(F)F
InChIInChI=1S/C24H18F4N6O2S/c1-13(24(26,27)28)33-37(35,36)15-5-6-20(32-12-15)22-18(11-29)17-9-19(25)16(14-3-4-14)10-21(17)34(22)23-30-7-2-8-31-23/h2,5-10,12-14,33H,3-4H2,1H3/t13-/m0/s1
InChIKeyHTDLVISIRVOKAR-ZDUSSCGKSA-N
MW530.51 g/mol
LogP4.60
Rot. Bonds6

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

6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66731008) has the molecular formula C24H18F4N6O2S and a molecular weight of 530.51 g/mol. Its IUPAC name is 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66731008
Molecular FormulaC24H18F4N6O2S
Molecular Weight530.51 g/mol
Exact Mass530.11
IUPAC Name6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ncccn2)nc1)C(F)(F)F
InChIInChI=1S/C24H18F4N6O2S/c1-13(24(26,27)28)33-37(35,36)15-5-6-20(32-12-15)22-18(11-29)17-9-19(25)16(14-3-4-14)10-21(17)34(22)23-30-7-2-8-31-23/h2,5-10,12-14,33H,3-4H2,1H3/t13-/m0/s1
InChIKeyHTDLVISIRVOKAR-ZDUSSCGKSA-N
XLogP4.60
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66731008) is 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ncccn2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is HTDLVISIRVOKAR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H18F4N6O2S/c1-13(24(26,27)28)33-37(35,36)15-5-6-20(32-12-15)22-18(11-29)17-9-19(25)16(14-3-4-14)10-21(17)34(22)23-30-7-2-8-31-23/h2,5-10,12-14,33H,3-4H2,1H3/t13-/m0/s1.
What are the key properties of 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 530.51 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6-cyclopropyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66731008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).