(6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C19H17N3O3S — CID 97436698

IUPAC(6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)O)sc1-c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-11-7-16(26-17(11)12-5-3-2-4-6-12)18(23)22-9-14-13(20-10-21-14)8-15(22)19(24)25/h2-7,10,15H,8-9H2,1H3,(H,20,21)(H,24,25)/t15-/m0/s1
InChIKeyUPTMJIIGNINDPJ-HNNXBMFYSA-N
MW367.43 g/mol
LogP3.10
Rot. Bonds3

About (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97436698) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID97436698
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)O)sc1-c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-11-7-16(26-17(11)12-5-3-2-4-6-12)18(23)22-9-14-13(20-10-21-14)8-15(22)19(24)25/h2-7,10,15H,8-9H2,1H3,(H,20,21)(H,24,25)/t15-/m0/s1
InChIKeyUPTMJIIGNINDPJ-HNNXBMFYSA-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-(4-methyl-5-phenylthiophene-2-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

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97436698) is (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1cc(C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)O)sc1-c1ccccc1.
What is the InChIKey of (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is UPTMJIIGNINDPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-7-16(26-17(11)12-5-3-2-4-6-12)18(23)22-9-14-13(20-10-21-14)8-15(22)19(24)25/h2-7,10,15H,8-9H2,1H3,(H,20,21)(H,24,25)/t15-/m0/s1.
What are the key properties of (6S)-5-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-5-(4-methyl-5-phenylthiophene-2-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-(4-methyl-5-phenylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97436698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).