6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C24H25F3N6O2S — CID 66738495

IUPAC6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cccnc3n2C2CCC2N2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H25F3N6O2S/c1-15(24(25,26)27)31-36(34,35)16-6-7-19(30-14-16)22-18(13-28)17-5-4-10-29-23(17)33(22)21-9-8-20(21)32-11-2-3-12-32/h4-7,10,14-15,20-21,31H,2-3,8-9,11-12H2,1H3/t15-,20?,21?/m0/s1
InChIKeyGILULAZXAZFBPS-VUZGARFFSA-N
MW518.57 g/mol
LogP4.00
Rot. Bonds6

About 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66738495) has the molecular formula C24H25F3N6O2S and a molecular weight of 518.57 g/mol. Its IUPAC name is 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66738495
Molecular FormulaC24H25F3N6O2S
Molecular Weight518.57 g/mol
Exact Mass518.17
IUPAC Name6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cccnc3n2C2CCC2N2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H25F3N6O2S/c1-15(24(25,26)27)31-36(34,35)16-6-7-19(30-14-16)22-18(13-28)17-5-4-10-29-23(17)33(22)21-9-8-20(21)32-11-2-3-12-32/h4-7,10,14-15,20-21,31H,2-3,8-9,11-12H2,1H3/t15-,20?,21?/m0/s1
InChIKeyGILULAZXAZFBPS-VUZGARFFSA-N
XLogP4.00
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-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-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66738495) is 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cccnc3n2C2CCC2N2CCCC2)nc1)C(F)(F)F.
What is the InChIKey of 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is GILULAZXAZFBPS-VUZGARFFSA-N. The full InChI is InChI=1S/C24H25F3N6O2S/c1-15(24(25,26)27)31-36(34,35)16-6-7-19(30-14-16)22-18(13-28)17-5-4-10-29-23(17)33(22)21-9-8-20(21)32-11-2-3-12-32/h4-7,10,14-15,20-21,31H,2-3,8-9,11-12H2,1H3/t15-,20?,21?/m0/s1.
What are the key properties of 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 518.57 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-(2-pyrrolidin-1-ylcyclobutyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66738495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).