4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid

C19H13F2N5O2 — CID 53311967

IUPAC4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnc3ccccn23)nc1NCc1c(F)cccc1F
InChIInChI=1S/C19H13F2N5O2/c20-13-4-3-5-14(21)11(13)8-23-17-12(19(27)28)9-24-18(25-17)15-10-22-16-6-1-2-7-26(15)16/h1-7,9-10H,8H2,(H,27,28)(H,23,24,25)
InChIKeyGEQYVAYFHFOWRR-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.38
Rot. Bonds5

About 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid

4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid (PubChem CID 53311967) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid
PubChem CID53311967
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnc3ccccn23)nc1NCc1c(F)cccc1F
InChIInChI=1S/C19H13F2N5O2/c20-13-4-3-5-14(21)11(13)8-23-17-12(19(27)28)9-24-18(25-17)15-10-22-16-6-1-2-7-26(15)16/h1-7,9-10H,8H2,(H,27,28)(H,23,24,25)
InChIKeyGEQYVAYFHFOWRR-UHFFFAOYSA-N
XLogP3.38
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164
N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131889223
2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279509
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 155011100
1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 141298988
4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 82169218
(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329870
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid (CID 53311967) is 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2cnc3ccccn23)nc1NCc1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid?
The InChIKey is GEQYVAYFHFOWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c20-13-4-3-5-14(21)11(13)8-23-17-12(19(27)28)9-24-18(25-17)15-10-22-16-6-1-2-7-26(15)16/h1-7,9-10H,8H2,(H,27,28)(H,23,24,25).
What are the key properties of 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid?
4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid has a molecular weight of 381.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methylamino]-2-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53311967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).