3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid

C22H19N5O3 — CID 134328506

IUPAC3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(C(=O)O)cn23)cn1
InChIInChI=1S/C22H19N5O3/c1-13-2-3-14(21(28)25-16-5-6-16)8-17(13)18-11-26(12-24-18)20-9-23-19-7-4-15(22(29)30)10-27(19)20/h2-4,7-12,16H,5-6H2,1H3,(H,25,28)(H,29,30)
InChIKeyBFPOULRRXDXBNA-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid

3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 134328506) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID134328506
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(C(=O)O)cn23)cn1
InChIInChI=1S/C22H19N5O3/c1-13-2-3-14(21(28)25-16-5-6-16)8-17(13)18-11-26(12-24-18)20-9-23-19-7-4-15(22(29)30)10-27(19)20/h2-4,7-12,16H,5-6H2,1H3,(H,25,28)(H,29,30)
InChIKeyBFPOULRRXDXBNA-UHFFFAOYSA-N
XLogP3.09
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 134328506) is 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1ccc(C(=O)NC2CC2)cc1-c1cn(-c2cnc3ccc(C(=O)O)cn23)cn1.
What is the InChIKey of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is BFPOULRRXDXBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13-2-3-14(21(28)25-16-5-6-16)8-17(13)18-11-26(12-24-18)20-9-23-19-7-4-15(22(29)30)10-27(19)20/h2-4,7-12,16H,5-6H2,1H3,(H,25,28)(H,29,30).
What are the key properties of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid?
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 401.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]imidazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 134328506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).