(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C15H17N3O3S — CID 95873195

IUPAC(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)O)cs1
InChIInChI=1S/C15H17N3O3S/c1-2-3-10-6-9(7-22-10)14(19)18-5-4-11-12(17-8-16-11)13(18)15(20)21/h6-8,13H,2-5H2,1H3,(H,16,17)(H,20,21)/t13-/m1/s1
InChIKeyKIDKWQGFAIOGDI-CYBMUJFWSA-N
MW319.39 g/mol
LogP2.25
Rot. Bonds4

About (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95873195) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95873195
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)O)cs1
InChIInChI=1S/C15H17N3O3S/c1-2-3-10-6-9(7-22-10)14(19)18-5-4-11-12(17-8-16-11)13(18)15(20)21/h6-8,13H,2-5H2,1H3,(H,16,17)(H,20,21)/t13-/m1/s1
InChIKeyKIDKWQGFAIOGDI-CYBMUJFWSA-N
XLogP2.25
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

5-(5-ethylsulfanylthiophene-2-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 72908044
(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95874883
5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70749670
5-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70730610
(4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95866736
1-[(4aR,7aS)-6,6-dioxo-4-(5-propylthiophene-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-1-one
CID 70716407
(4R)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95874393
(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50966520
(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
CID 17193910
5-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70787298
(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 97193889
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-propylthiophen-3-yl)methanone
CID 27233404

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95873195) is (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is CCCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)O)cs1.
What is the InChIKey of (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is KIDKWQGFAIOGDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-2-3-10-6-9(7-22-10)14(19)18-5-4-11-12(17-8-16-11)13(18)15(20)21/h6-8,13H,2-5H2,1H3,(H,16,17)(H,20,21)/t13-/m1/s1.
What are the key properties of (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 319.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(5-propylthiophene-3-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95873195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).