4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid

C13H11N5O2 — CID 136991651

IUPAC4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nc2cnccc2n1C1CC1
InChIInChI=1S/C13H11N5O2/c19-13(20)11-10(15-6-16-11)12-17-8-5-14-4-3-9(8)18(12)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,19,20)
InChIKeyLWOFDMIFTUDRNS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.85
Rot. Bonds3

About 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid

4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 136991651) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID136991651
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1nc2cnccc2n1C1CC1
InChIInChI=1S/C13H11N5O2/c19-13(20)11-10(15-6-16-11)12-17-8-5-14-4-3-9(8)18(12)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,19,20)
InChIKeyLWOFDMIFTUDRNS-UHFFFAOYSA-N
XLogP1.85
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid (CID 136991651) is 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1nc2cnccc2n1C1CC1.
What is the InChIKey of 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is LWOFDMIFTUDRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-13(20)11-10(15-6-16-11)12-17-8-5-14-4-3-9(8)18(12)7-1-2-7/h3-7H,1-2H2,(H,15,16)(H,19,20).
What are the key properties of 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid?
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 136991651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).