5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C17H17N5O3 — CID 72930755

IUPAC5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)CCc1cn2ccccc2n1
InChIInChI=1S/C17H17N5O3/c23-16(5-4-11-8-21-6-2-1-3-15(21)20-11)22-9-13-12(18-10-19-13)7-14(22)17(24)25/h1-3,6,8,10,14H,4-5,7,9H2,(H,18,19)(H,24,25)
InChIKeyOYTOEIYKYUHBCO-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.03
Rot. Bonds4

About 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72930755) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72930755
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)CCc1cn2ccccc2n1
InChIInChI=1S/C17H17N5O3/c23-16(5-4-11-8-21-6-2-1-3-15(21)20-11)22-9-13-12(18-10-19-13)7-14(22)17(24)25/h1-3,6,8,10,14H,4-5,7,9H2,(H,18,19)(H,24,25)
InChIKeyOYTOEIYKYUHBCO-UHFFFAOYSA-N
XLogP1.03
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72930755) is 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)CCc1cn2ccccc2n1.
What is the InChIKey of 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is OYTOEIYKYUHBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-16(5-4-11-8-21-6-2-1-3-15(21)20-11)22-9-13-12(18-10-19-13)7-14(22)17(24)25/h1-3,6,8,10,14H,4-5,7,9H2,(H,18,19)(H,24,25).
What are the key properties of 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72930755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).