6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile

C20H19N3O2S — CID 71881969

IUPAC6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOc1ccc2c(c1)CCN2C(=O)c1cc(C2CC2)nc(SC)c1C#N
InChIInChI=1S/C20H19N3O2S/c1-25-14-5-6-18-13(9-14)7-8-23(18)20(24)15-10-17(12-3-4-12)22-19(26-2)16(15)11-21/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyAPLPPFCOFIUYOB-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.76
Rot. Bonds4

About 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile

6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 71881969) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID71881969
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOc1ccc2c(c1)CCN2C(=O)c1cc(C2CC2)nc(SC)c1C#N
InChIInChI=1S/C20H19N3O2S/c1-25-14-5-6-18-13(9-14)7-8-23(18)20(24)15-10-17(12-3-4-12)22-19(26-2)16(15)11-21/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyAPLPPFCOFIUYOB-UHFFFAOYSA-N
XLogP3.76
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide
CID 95908219
6-cyclopropyl-2-methylsulfanyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyridine-3-carbonitrile
CID 38631470
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
CID 122143793
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide
CID 55455800
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742280
(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 34162563
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile (CID 71881969) is 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile is COc1ccc2c(c1)CCN2C(=O)c1cc(C2CC2)nc(SC)c1C#N.
What is the InChIKey of 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is APLPPFCOFIUYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-25-14-5-6-18-13(9-14)7-8-23(18)20(24)15-10-17(12-3-4-12)22-19(26-2)16(15)11-21/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile?
6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 365.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 71881969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).