4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C10H15N3O2 — CID 17112375

IUPAC4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)C1NC(C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C10H15N3O2/c1-5(2)8-9-6(11-4-12-9)3-7(13-8)10(14)15/h4-5,7-8,13H,3H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyGESXGYCBLIFERX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.71
Rot. Bonds2

About 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 17112375) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID17112375
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)C1NC(C(=O)O)Cc2[nH]cnc21
InChIInChI=1S/C10H15N3O2/c1-5(2)8-9-6(11-4-12-9)3-7(13-8)10(14)15/h4-5,7-8,13H,3H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyGESXGYCBLIFERX-UHFFFAOYSA-N
XLogP0.71
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 17112375) is 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)C1NC(C(=O)O)Cc2[nH]cnc21.
What is the InChIKey of 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GESXGYCBLIFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-5(2)8-9-6(11-4-12-9)3-7(13-8)10(14)15/h4-5,7-8,13H,3H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 17112375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).