2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide

C26H25ClF2N6O2 — CID 162384591

IUPAC2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide
SMILESCCNC1CC(NC(=O)c2ccc(Nc3nccn4c(-c5ccc(OC)c(F)c5F)cnc34)cc2Cl)C1
InChIInChI=1S/C26H25ClF2N6O2/c1-3-30-15-10-16(11-15)34-26(36)17-5-4-14(12-19(17)27)33-24-25-32-13-20(35(25)9-8-31-24)18-6-7-21(37-2)23(29)22(18)28/h4-9,12-13,15-16,30H,3,10-11H2,1-2H3,(H,31,33)(H,34,36)
InChIKeyHCODFDKOGMQMQD-UHFFFAOYSA-N
MW526.98 g/mol
LogP4.95
Rot. Bonds8

About 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide

2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide (PubChem CID 162384591) has the molecular formula C26H25ClF2N6O2 and a molecular weight of 526.98 g/mol. Its IUPAC name is 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide
PubChem CID162384591
Molecular FormulaC26H25ClF2N6O2
Molecular Weight526.98 g/mol
Exact Mass526.17
IUPAC Name2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide
SMILESCCNC1CC(NC(=O)c2ccc(Nc3nccn4c(-c5ccc(OC)c(F)c5F)cnc34)cc2Cl)C1
InChIInChI=1S/C26H25ClF2N6O2/c1-3-30-15-10-16(11-15)34-26(36)17-5-4-14(12-19(17)27)33-24-25-32-13-20(35(25)9-8-31-24)18-6-7-21(37-2)23(29)22(18)28/h4-9,12-13,15-16,30H,3,10-11H2,1-2H3,(H,31,33)(H,34,36)
InChIKeyHCODFDKOGMQMQD-UHFFFAOYSA-N
XLogP4.95
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.98
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidocyclobutyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166892828
N-(2-aminocyclopropyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 166586233
2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-[2-hydroxyethyl(methyl)amino]propyl]benzamide
CID 166893118
N-(2-aminoethyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 167318488
[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]piperidin-1-yl]-2-oxoethyl]-dimethylazanium
CID 162384556
(2-amino-2-oxoethyl)-[2-[3-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]azetidin-1-yl]-2-oxoethyl]-dimethylazanium
CID 162384575
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-(4-oxobutyl)benzamide
CID 154951394
(2S,4R)-N-[2-[[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156780651
N-(7-aminoheptyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
CID 166579740
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]benzamide;hydrochloride
CID 166579773
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[(2R)-1-[2-(methylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 166593421
N-[(5S)-5-aminohexyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166593418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide?
The IUPAC name of 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide (CID 162384591) is 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide.
What is the SMILES notation for 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide?
The canonical SMILES for 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide is CCNC1CC(NC(=O)c2ccc(Nc3nccn4c(-c5ccc(OC)c(F)c5F)cnc34)cc2Cl)C1.
What is the InChIKey of 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide?
The InChIKey is HCODFDKOGMQMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N6O2/c1-3-30-15-10-16(11-15)34-26(36)17-5-4-14(12-19(17)27)33-24-25-32-13-20(35(25)9-8-31-24)18-6-7-21(37-2)23(29)22(18)28/h4-9,12-13,15-16,30H,3,10-11H2,1-2H3,(H,31,33)(H,34,36).
What are the key properties of 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide?
2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide has a molecular weight of 526.98 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-[3-(ethylamino)cyclobutyl]benzamide is sourced from PubChem (CID 162384591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).