6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide

C25H23FN6O2S — CID 66731083

IUPAC6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NCC3CCC3)cn1)n2-c1ncccn1
InChIInChI=1S/C25H23FN6O2S/c1-2-17-11-23-19(12-21(17)26)20(13-27)24(32(23)25-28-9-4-10-29-25)22-8-7-18(15-30-22)35(33,34)31-14-16-5-3-6-16/h4,7-12,15-16,31H,2-3,5-6,14H2,1H3
InChIKeyKKLGHILAPJXQIN-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.13
Rot. Bonds7

About 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide

6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide (PubChem CID 66731083) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide
PubChem CID66731083
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC Name6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NCC3CCC3)cn1)n2-c1ncccn1
InChIInChI=1S/C25H23FN6O2S/c1-2-17-11-23-19(12-21(17)26)20(13-27)24(32(23)25-28-9-4-10-29-25)22-8-7-18(15-30-22)35(33,34)31-14-16-5-3-6-16/h4,7-12,15-16,31H,2-3,5-6,14H2,1H3
InChIKeyKKLGHILAPJXQIN-UHFFFAOYSA-N
XLogP4.13
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide (CID 66731083) is 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NCC3CCC3)cn1)n2-c1ncccn1.
What is the InChIKey of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide?
The InChIKey is KKLGHILAPJXQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c1-2-17-11-23-19(12-21(17)26)20(13-27)24(32(23)25-28-9-4-10-29-25)22-8-7-18(15-30-22)35(33,34)31-14-16-5-3-6-16/h4,7-12,15-16,31H,2-3,5-6,14H2,1H3.
What are the key properties of 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide?
6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide has a molecular weight of 490.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(cyclobutylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 66731083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).