6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide

C21H23N5O3S — CID 67949074

IUPAC6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1
InChIInChI=1S/C21H23N5O3S/c1-13(2)25-30(27,28)16-7-8-19(23-12-16)20-18(10-22)17-9-15(29-3)11-24-21(17)26(20)14-5-4-6-14/h7-9,11-14,25H,4-6H2,1-3H3
InChIKeyBONGKYMUOHDGLY-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.39
Rot. Bonds6

About 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 67949074) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID67949074
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1
InChIInChI=1S/C21H23N5O3S/c1-13(2)25-30(27,28)16-7-8-19(23-12-16)20-18(10-22)17-9-15(29-3)11-24-21(17)26(20)14-5-4-6-14/h7-9,11-14,25H,4-6H2,1-3H3
InChIKeyBONGKYMUOHDGLY-UHFFFAOYSA-N
XLogP3.39
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide (CID 67949074) is 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide is COc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C)cn1)n2C1CCC1.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is BONGKYMUOHDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-13(2)25-30(27,28)16-7-8-19(23-12-16)20-18(10-22)17-9-15(29-3)11-24-21(17)26(20)14-5-4-6-14/h7-9,11-14,25H,4-6H2,1-3H3.
What are the key properties of 6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 425.51 g/mol, XLogP of 3.39, 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-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 67949074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).