4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid

C19H14FN5O3 — CID 71283092

IUPAC4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid
SMILESCn1cc(-c2ccn3c(C(=O)Nc4cc(C(=O)O)ccc4F)cnc3c2)cn1
InChIInChI=1S/C19H14FN5O3/c1-24-10-13(8-22-24)11-4-5-25-16(9-21-17(25)7-11)18(26)23-15-6-12(19(27)28)2-3-14(15)20/h2-10H,1H3,(H,23,26)(H,27,28)
InChIKeyJKYRNKQRGLNDNE-UHFFFAOYSA-N
MW379.35 g/mol
LogP2.82
Rot. Bonds4

About 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid

4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid (PubChem CID 71283092) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid
PubChem CID71283092
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid
SMILESCn1cc(-c2ccn3c(C(=O)Nc4cc(C(=O)O)ccc4F)cnc3c2)cn1
InChIInChI=1S/C19H14FN5O3/c1-24-10-13(8-22-24)11-4-5-25-16(9-21-17(25)7-11)18(26)23-15-6-12(19(27)28)2-3-14(15)20/h2-10H,1H3,(H,23,26)(H,27,28)
InChIKeyJKYRNKQRGLNDNE-UHFFFAOYSA-N
XLogP2.82
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid (CID 71283092) is 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid is Cn1cc(-c2ccn3c(C(=O)Nc4cc(C(=O)O)ccc4F)cnc3c2)cn1.
What is the InChIKey of 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid?
The InChIKey is JKYRNKQRGLNDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c1-24-10-13(8-22-24)11-4-5-25-16(9-21-17(25)7-11)18(26)23-15-6-12(19(27)28)2-3-14(15)20/h2-10H,1H3,(H,23,26)(H,27,28).
What are the key properties of 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid?
4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid has a molecular weight of 379.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 71283092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).