6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C21H18N4O2 — CID 126586057

IUPAC6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(CNc2ccc(-c3ccc4ncc(C(=O)O)n4c3)cn2)c1
InChIInChI=1S/C21H18N4O2/c1-14-3-2-4-15(9-14)10-22-19-7-5-16(11-23-19)17-6-8-20-24-12-18(21(26)27)25(20)13-17/h2-9,11-13H,10H2,1H3,(H,22,23)(H,26,27)
InChIKeyRYKZGVYYBKRGHL-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.02
Rot. Bonds5

About 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 126586057) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID126586057
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(CNc2ccc(-c3ccc4ncc(C(=O)O)n4c3)cn2)c1
InChIInChI=1S/C21H18N4O2/c1-14-3-2-4-15(9-14)10-22-19-7-5-16(11-23-19)17-6-8-20-24-12-18(21(26)27)25(20)13-17/h2-9,11-13H,10H2,1H3,(H,22,23)(H,26,27)
InChIKeyRYKZGVYYBKRGHL-UHFFFAOYSA-N
XLogP4.02
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 126586057) is 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cccc(CNc2ccc(-c3ccc4ncc(C(=O)O)n4c3)cn2)c1.
What is the InChIKey of 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is RYKZGVYYBKRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-3-2-4-15(9-14)10-22-19-7-5-16(11-23-19)17-6-8-20-24-12-18(21(26)27)25(20)13-17/h2-9,11-13H,10H2,1H3,(H,22,23)(H,26,27).
What are the key properties of 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 126586057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).