5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C17H17N5O3 — CID 72890504

IUPAC5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cccn2c(CC(=O)N3Cc4[nH]cnc4CC3C(=O)O)cnc12
InChIInChI=1S/C17H17N5O3/c1-10-3-2-4-21-11(7-18-16(10)21)5-15(23)22-8-13-12(19-9-20-13)6-14(22)17(24)25/h2-4,7,9,14H,5-6,8H2,1H3,(H,19,20)(H,24,25)
InChIKeyDKTJHFCRAUAQKN-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.95
Rot. Bonds3

About 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72890504) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72890504
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cccn2c(CC(=O)N3Cc4[nH]cnc4CC3C(=O)O)cnc12
InChIInChI=1S/C17H17N5O3/c1-10-3-2-4-21-11(7-18-16(10)21)5-15(23)22-8-13-12(19-9-20-13)6-14(22)17(24)25/h2-4,7,9,14H,5-6,8H2,1H3,(H,19,20)(H,24,25)
InChIKeyDKTJHFCRAUAQKN-UHFFFAOYSA-N
XLogP0.95
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72890504) is 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1cccn2c(CC(=O)N3Cc4[nH]cnc4CC3C(=O)O)cnc12.
What is the InChIKey of 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is DKTJHFCRAUAQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-3-2-4-21-11(7-18-16(10)21)5-15(23)22-8-13-12(19-9-20-13)6-14(22)17(24)25/h2-4,7,9,14H,5-6,8H2,1H3,(H,19,20)(H,24,25).
What are the key properties of 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72890504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).