(6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C19H17N3O3S — CID 97276996

IUPAC(6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1scc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)O)c1-c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-11-17(12-5-3-2-4-6-12)13(9-26-11)18(23)22-8-15-14(20-10-21-15)7-16(22)19(24)25/h2-6,9-10,16H,7-8H2,1H3,(H,20,21)(H,24,25)/t16-/m0/s1
InChIKeyNRDAXKXEDRSOJK-INIZCTEOSA-N
MW367.43 g/mol
LogP3.10
Rot. Bonds3

About (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97276996) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID97276996
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1scc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)O)c1-c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-11-17(12-5-3-2-4-6-12)13(9-26-11)18(23)22-8-15-14(20-10-21-15)7-16(22)19(24)25/h2-6,9-10,16H,7-8H2,1H3,(H,20,21)(H,24,25)/t16-/m0/s1
InChIKeyNRDAXKXEDRSOJK-INIZCTEOSA-N
XLogP3.10
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97436698
5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344242
(6S)-5-(2-benzyl-1,3-thiazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97281749
5-(3-methyl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343096
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
5-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 118766761
(6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 125174270
(6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97278790
methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 74508494
(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97434426
5-(6-chloropyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344437
5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344433

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97276996) is (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1scc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)O)c1-c1ccccc1.
What is the InChIKey of (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is NRDAXKXEDRSOJK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-17(12-5-3-2-4-6-12)13(9-26-11)18(23)22-8-15-14(20-10-21-15)7-16(22)19(24)25/h2-6,9-10,16H,7-8H2,1H3,(H,20,21)(H,24,25)/t16-/m0/s1.
What are the key properties of (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 367.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(5-methyl-4-phenylthiophene-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97276996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).