6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide

C19H18ClN3OS — CID 177139885

IUPAC6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide
SMILESCSc1cnc2c(c1)CCC2NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C19H18ClN3OS/c1-23-16-9-13(20)5-3-11(16)8-17(23)19(24)22-15-6-4-12-7-14(25-2)10-21-18(12)15/h3,5,7-10,15H,4,6H2,1-2H3,(H,22,24)
InChIKeyFXNHZWZBYWOBTE-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.37
Rot. Bonds3

About 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide

6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide (PubChem CID 177139885) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide
PubChem CID177139885
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide
SMILESCSc1cnc2c(c1)CCC2NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C19H18ClN3OS/c1-23-16-9-13(20)5-3-11(16)8-17(23)19(24)22-15-6-4-12-7-14(25-2)10-21-18(12)15/h3,5,7-10,15H,4,6H2,1-2H3,(H,22,24)
InChIKeyFXNHZWZBYWOBTE-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide with MolForge

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Related Compounds

6-chloro-N-(2-cyclopropyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-8-yl)-1-methylindole-2-carboxamide
CID 177140227
6-chloro-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-methylindole-2-carboxamide
CID 177140108
6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)indole-2-carboxamide
CID 177139990
6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide
CID 177140466
(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
CID 177140251
6-chloro-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177140066
6-chloro-N-[7-(2-hydroxypropan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-4-yl]-1-methylindole-2-carboxamide
CID 177140522
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane
CID 177140219
6-chloro-N-(6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177139941
6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
CID 177140131

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide?
The IUPAC name of 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide (CID 177139885) is 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide is CSc1cnc2c(c1)CCC2NC(=O)c1cc2ccc(Cl)cc2n1C.
What is the InChIKey of 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide?
The InChIKey is FXNHZWZBYWOBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-23-16-9-13(20)5-3-11(16)8-17(23)19(24)22-15-6-4-12-7-14(25-2)10-21-18(12)15/h3,5,7-10,15H,4,6H2,1-2H3,(H,22,24).
What are the key properties of 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide?
6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide is sourced from PubChem (CID 177139885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).