6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C24H24F3N5O2S — CID 66976931

IUPAC6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[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)c3cc(C4CC4)cnc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H24F3N5O2S/c1-14(24(25,26)27)31-35(33,34)18-8-9-21(29-13-18)22-20(11-28)19-10-16(15-6-7-15)12-30-23(19)32(22)17-4-2-3-5-17/h8-10,12-15,17,31H,2-7H2,1H3/t14-/m0/s1
InChIKeyFLSQKHZZBCWNMV-AWEZNQCLSA-N
MW503.55 g/mol
LogP5.19
Rot. Bonds6

About 6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66976931) has the molecular formula C24H24F3N5O2S and a molecular weight of 503.55 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66976931
Molecular FormulaC24H24F3N5O2S
Molecular Weight503.55 g/mol
Exact Mass503.16
IUPAC Name6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[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)c3cc(C4CC4)cnc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H24F3N5O2S/c1-14(24(25,26)27)31-35(33,34)18-8-9-21(29-13-18)22-20(11-28)19-10-16(15-6-7-15)12-30-23(19)32(22)17-4-2-3-5-17/h8-10,12-15,17,31H,2-7H2,1H3/t14-/m0/s1
InChIKeyFLSQKHZZBCWNMV-AWEZNQCLSA-N
XLogP5.19
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[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-cyclopentyl-5-cyclopropylpyrrolo[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-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66976931) is 6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[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-cyclopentyl-5-cyclopropylpyrrolo[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-cyclopentyl-5-cyclopropylpyrrolo[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)c3cc(C4CC4)cnc3n2C2CCCC2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is FLSQKHZZBCWNMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H24F3N5O2S/c1-14(24(25,26)27)31-35(33,34)18-8-9-21(29-13-18)22-20(11-28)19-10-16(15-6-7-15)12-30-23(19)32(22)17-4-2-3-5-17/h8-10,12-15,17,31H,2-7H2,1H3/t14-/m0/s1.
What are the key properties of 6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 503.55 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclopentyl-5-cyclopropylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66976931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).