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

C22H17F3N6O2S — CID 66734886

IUPAC6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1
InChIInChI=1S/C22H17F3N6O2S/c1-13-8-17-18(9-26)20(31(21(17)29-10-13)15-4-3-7-27-11-15)19-6-5-16(12-28-19)34(32,33)30-14(2)22(23,24)25/h3-8,10-12,14,30H,1-2H3/t14-/m0/s1
InChIKeyBOUTVKVSZWGGCV-AWEZNQCLSA-N
MW486.48 g/mol
LogP3.89
Rot. Bonds5

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

6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66734886) has the molecular formula C22H17F3N6O2S and a molecular weight of 486.48 g/mol. Its IUPAC name is 6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66734886
Molecular FormulaC22H17F3N6O2S
Molecular Weight486.48 g/mol
Exact Mass486.11
IUPAC Name6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1
InChIInChI=1S/C22H17F3N6O2S/c1-13-8-17-18(9-26)20(31(21(17)29-10-13)15-4-3-7-27-11-15)19-6-5-16(12-28-19)34(32,33)30-14(2)22(23,24)25/h3-8,10-12,14,30H,1-2H3/t14-/m0/s1
InChIKeyBOUTVKVSZWGGCV-AWEZNQCLSA-N
XLogP3.89
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66734886) is 6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[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-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cnc2c(c1)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-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is BOUTVKVSZWGGCV-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H17F3N6O2S/c1-13-8-17-18(9-26)20(31(21(17)29-10-13)15-4-3-7-27-11-15)19-6-5-16(12-28-19)34(32,33)30-14(2)22(23,24)25/h3-8,10-12,14,30H,1-2H3/t14-/m0/s1.
What are the key properties of 6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 486.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-5-methyl-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66734886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).