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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Related Compounds

3-Methoxypyrido[1,2-a]indole-10-carbonitrile
CID 1488983
6-methoxy-1-(phenylsulfonyl)-1H-indole
CID 852507
4-(6-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413495
N-[2-methoxy-5-(6-methoxy-3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71450107
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-(pyridin-2-ylmethyl)ethanamine
CID 164611660
N'-[(E)-(6-methoxy-1H-indol-3-yl)methylidene]-4-methylbenzenesulfonohydrazide
CID 135651464
1-(4-Methoxy-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 9969402
1-(Benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
2-(1-Benzenesulfonyl-5-methoxy-1H-indol-3-yl)-ethylamine
CID 10131565
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 11625428
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide
CID 11682432
N-[4-[3-cyano-6-(difluoromethoxy)-1-isopropyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051493

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).