6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide

C22H24N4O3S — CID 70369620

IUPAC6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C)cn3)n(CC3CC3)c2c1
InChIInChI=1S/C22H24N4O3S/c1-14(2)25-30(27,28)17-7-9-20(24-12-17)22-19(11-23)18-8-6-16(29-3)10-21(18)26(22)13-15-4-5-15/h6-10,12,14-15,25H,4-5,13H2,1-3H3
InChIKeyOIFQEIHGZJLIEL-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.68
Rot. Bonds7

About 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide

6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 70369620) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID70369620
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C)cn3)n(CC3CC3)c2c1
InChIInChI=1S/C22H24N4O3S/c1-14(2)25-30(27,28)17-7-9-20(24-12-17)22-19(11-23)18-8-6-16(29-3)10-21(18)26(22)13-15-4-5-15/h6-10,12,14-15,25H,4-5,13H2,1-3H3
InChIKeyOIFQEIHGZJLIEL-UHFFFAOYSA-N
XLogP3.68
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.68
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-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 70369620) is 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is COc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)NC(C)C)cn3)n(CC3CC3)c2c1.
What is the InChIKey of 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is OIFQEIHGZJLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14(2)25-30(27,28)17-7-9-20(24-12-17)22-19(11-23)18-8-6-16(29-3)10-21(18)26(22)13-15-4-5-15/h6-10,12,14-15,25H,4-5,13H2,1-3H3.
What are the key properties of 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 424.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 70369620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).