2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid

C20H14ClFN4O3 — CID 150596520

IUPAC2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)O)c(Cl)c4)nccn23)cc1F
InChIInChI=1S/C20H14ClFN4O3/c1-29-17-5-2-11(8-15(17)22)16-10-24-19-18(23-6-7-26(16)19)25-12-3-4-13(20(27)28)14(21)9-12/h2-10H,1H3,(H,23,25)(H,27,28)
InChIKeyIQYVEOJIQBSUPC-UHFFFAOYSA-N
MW412.81 g/mol
LogP4.64
Rot. Bonds5

About 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid

2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid (PubChem CID 150596520) has the molecular formula C20H14ClFN4O3 and a molecular weight of 412.81 g/mol. Its IUPAC name is 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
PubChem CID150596520
Molecular FormulaC20H14ClFN4O3
Molecular Weight412.81 g/mol
Exact Mass412.07
IUPAC Name2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)O)c(Cl)c4)nccn23)cc1F
InChIInChI=1S/C20H14ClFN4O3/c1-29-17-5-2-11(8-15(17)22)16-10-24-19-18(23-6-7-26(16)19)25-12-3-4-13(20(27)28)14(21)9-12/h2-10H,1H3,(H,23,25)(H,27,28)
InChIKeyIQYVEOJIQBSUPC-UHFFFAOYSA-N
XLogP4.64
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.81
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
CID 166593371
2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 166593305
[(2R)-azetidin-2-yl]-[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]methanone
CID 154943693
N-[4-[[3-(3-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide
CID 162384050
[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 154943640
3-(3-fluoro-4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 58777802
[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 149453016
[2-bromo-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 154943973
[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 154943886
[1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 166593358
4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-2-methylbenzamide
CID 156780641
(E)-1-[4-[[3-(3-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]but-2-en-1-one
CID 154961562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The IUPAC name of 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid (CID 150596520) is 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)O)c(Cl)c4)nccn23)cc1F.
What is the InChIKey of 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The InChIKey is IQYVEOJIQBSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O3/c1-29-17-5-2-11(8-15(17)22)16-10-24-19-18(23-6-7-26(16)19)25-12-3-4-13(20(27)28)14(21)9-12/h2-10H,1H3,(H,23,25)(H,27,28).
What are the key properties of 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid has a molecular weight of 412.81 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid is sourced from PubChem (CID 150596520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).