6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide

C22H23N5O2S — CID 66734536

IUPAC6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide
SMILESCCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3CC3)cn1)n2C1CCC1
InChIInChI=1S/C22H23N5O2S/c1-2-14-10-18-19(11-23)21(27(16-4-3-5-16)22(18)25-12-14)20-9-8-17(13-24-20)30(28,29)26-15-6-7-15/h8-10,12-13,15-16,26H,2-7H2,1H3
InChIKeyRDUYFKFWNCEVRP-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.70
Rot. Bonds6

About 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 66734536) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide
PubChem CID66734536
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide
SMILESCCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3CC3)cn1)n2C1CCC1
InChIInChI=1S/C22H23N5O2S/c1-2-14-10-18-19(11-23)21(27(16-4-3-5-16)22(18)25-12-14)20-9-8-17(13-24-20)30(28,29)26-15-6-7-15/h8-10,12-13,15-16,26H,2-7H2,1H3
InChIKeyRDUYFKFWNCEVRP-UHFFFAOYSA-N
XLogP3.70
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide (CID 66734536) is 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide is CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3CC3)cn1)n2C1CCC1.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is RDUYFKFWNCEVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-2-14-10-18-19(11-23)21(27(16-4-3-5-16)22(18)25-12-14)20-9-8-17(13-24-20)30(28,29)26-15-6-7-15/h8-10,12-13,15-16,26H,2-7H2,1H3.
What are the key properties of 6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 421.53 g/mol, XLogP of 3.70, 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-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 66734536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).