(6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C17H19N3O3S — CID 125174836

IUPAC(6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H19N3O3S/c21-16(15-6-10-4-2-1-3-5-14(10)24-15)20-8-12-11(18-9-19-12)7-13(20)17(22)23/h6,9,13H,1-5,7-8H2,(H,18,19)(H,22,23)/t13-/m1/s1
InChIKeyHPADZFJRVDRKMS-CYBMUJFWSA-N
MW345.42 g/mol
LogP2.39
Rot. Bonds2

About (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 125174836) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID125174836
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H19N3O3S/c21-16(15-6-10-4-2-1-3-5-14(10)24-15)20-8-12-11(18-9-19-12)7-13(20)17(22)23/h6,9,13H,1-5,7-8H2,(H,18,19)(H,22,23)/t13-/m1/s1
InChIKeyHPADZFJRVDRKMS-CYBMUJFWSA-N
XLogP2.39
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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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-(piperidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343107
5-(4-bromo-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343321
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
5-(3-methyl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343096
5-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344433
5-[(2S)-pyrrolidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342623
(3R)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513461
methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 74508494
(6S)-5-(2-benzyl-1,3-thiazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97281749
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
5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 125174836) is (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1cc2c(s1)CCCCC2.
What is the InChIKey of (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is HPADZFJRVDRKMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(15-6-10-4-2-1-3-5-14(10)24-15)20-8-12-11(18-9-19-12)7-13(20)17(22)23/h6,9,13H,1-5,7-8H2,(H,18,19)(H,22,23)/t13-/m1/s1.
What are the key properties of (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
(6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 125174836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).