2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid

C19H13F2N5O2 — CID 70922004

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid
SMILESCC(c1ccc(F)cn1)c1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)O
InChIInChI=1S/C19H13F2N5O2/c1-10(14-4-2-11(20)6-22-14)17-13(19(27)28)7-24-18(25-17)15-8-23-16-5-3-12(21)9-26(15)16/h2-10H,1H3,(H,27,28)
InChIKeyDESWKEODXKOBCZ-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.31
Rot. Bonds4

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid (PubChem CID 70922004) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid
PubChem CID70922004
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid
SMILESCC(c1ccc(F)cn1)c1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)O
InChIInChI=1S/C19H13F2N5O2/c1-10(14-4-2-11(20)6-22-14)17-13(19(27)28)7-24-18(25-17)15-8-23-16-5-3-12(21)9-26(15)16/h2-10H,1H3,(H,27,28)
InChIKeyDESWKEODXKOBCZ-UHFFFAOYSA-N
XLogP3.31
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
5-(Trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyridin-2-ylamino)pyrido[2,3-b]pyrazin-3-yl)nicotinic acid
CID 49863891
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
4-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11167180
4-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11316515
4-[4-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11374350
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 122178097
4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887719
US10273222, Example 23
CID 90407242
US10273222, Example 24
CID 90407307

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid (CID 70922004) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid is CC(c1ccc(F)cn1)c1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)O.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid?
The InChIKey is DESWKEODXKOBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c1-10(14-4-2-11(20)6-22-14)17-13(19(27)28)7-24-18(25-17)15-8-23-16-5-3-12(21)9-26(15)16/h2-10H,1H3,(H,27,28).
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid has a molecular weight of 381.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 70922004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).