5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one

C21H17N5OS — CID 44512942

IUPAC5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
SMILESCc1csc(-n2ccc3nnn([C@@H](C)c4ccc5ncccc5c4)c3c2=O)c1
InChIInChI=1S/C21H17N5OS/c1-13-10-19(28-12-13)25-9-7-18-20(21(25)27)26(24-23-18)14(2)15-5-6-17-16(11-15)4-3-8-22-17/h3-12,14H,1-2H3/t14-/m0/s1
InChIKeyJNNIYZXJZPEHOP-AWEZNQCLSA-N
MW387.47 g/mol
LogP4.11
Rot. Bonds3

About 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one

5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one (PubChem CID 44512942) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
PubChem CID44512942
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
SMILESCc1csc(-n2ccc3nnn([C@@H](C)c4ccc5ncccc5c4)c3c2=O)c1
InChIInChI=1S/C21H17N5OS/c1-13-10-19(28-12-13)25-9-7-18-20(21(25)27)26(24-23-18)14(2)15-5-6-17-16(11-15)4-3-8-22-17/h3-12,14H,1-2H3/t14-/m0/s1
InChIKeyJNNIYZXJZPEHOP-AWEZNQCLSA-N
XLogP4.11
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one with MolForge

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Related Compounds

5-(4-methylthiophen-2-yl)-3-[(1R)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
CID 44512943
5-(4-methylthiophen-2-yl)-3-(1-quinolin-8-ylethyl)triazolo[4,5-c]pyridin-4-one
CID 66647608
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
6-(1-nitrosoethyl)quinoline
CID 54028651
5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135914993
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-3-yl]ethyl]quinoline
CID 140621756
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
6-methylquinoline
CID 7059
6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514864
2-[4-[3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol
CID 140621755
2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one (CID 44512942) is 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one is Cc1csc(-n2ccc3nnn([C@@H](C)c4ccc5ncccc5c4)c3c2=O)c1.
What is the InChIKey of 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
The InChIKey is JNNIYZXJZPEHOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-13-10-19(28-12-13)25-9-7-18-20(21(25)27)26(24-23-18)14(2)15-5-6-17-16(11-15)4-3-8-22-17/h3-12,14H,1-2H3/t14-/m0/s1.
What are the key properties of 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one has a molecular weight of 387.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiophen-2-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 44512942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).