4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride

C28H32Cl2N6O — CID 166593370

IUPAC4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride
SMILESCc1cc(Nc2nccn3c(-c4ccc(Cl)cc4)cnc23)ccc1C(=O)N(C)CCC1CCNCC1.Cl
InChIInChI=1S/C28H31ClN6O.ClH/c1-19-17-23(7-8-24(19)28(36)34(2)15-11-20-9-12-30-13-10-20)33-26-27-32-18-25(35(27)16-14-31-26)21-3-5-22(29)6-4-21;/h3-8,14,16-18,20,30H,9-13,15H2,1-2H3,(H,31,33);1H
InChIKeyYYVXICIYAXJWPT-UHFFFAOYSA-N
MW539.51 g/mol
LogP5.99
Rot. Bonds7

About 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride

4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride (PubChem CID 166593370) has the molecular formula C28H32Cl2N6O and a molecular weight of 539.51 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride
PubChem CID166593370
Molecular FormulaC28H32Cl2N6O
Molecular Weight539.51 g/mol
Exact Mass538.20
IUPAC Name4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride
SMILESCc1cc(Nc2nccn3c(-c4ccc(Cl)cc4)cnc23)ccc1C(=O)N(C)CCC1CCNCC1.Cl
InChIInChI=1S/C28H31ClN6O.ClH/c1-19-17-23(7-8-24(19)28(36)34(2)15-11-20-9-12-30-13-10-20)33-26-27-32-18-25(35(27)16-14-31-26)21-3-5-22(29)6-4-21;/h3-8,14,16-18,20,30H,9-13,15H2,1-2H3,(H,31,33);1H
InChIKeyYYVXICIYAXJWPT-UHFFFAOYSA-N
XLogP5.99
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(3-amino-3-iminopropyl)-4-[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide
CID 154961175
N-(2,2-diethoxyethyl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethylbenzamide;4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoic acid
CID 154944006
[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
tert-butyl N-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methyl]carbamate
CID 150914196
[1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxypiperidin-4-yl]-piperazin-1-ylmethanone
CID 154943479
N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 154943189
4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 156780646
[(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
[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 154943656
5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid
CID 175843584
tert-butyl N-[2-[1-[4-[[3-[3-fluoro-4-(4-hydroxybut-2-ynoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]ethyl]carbamate
CID 154943194

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride (CID 166593370) is 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride is Cc1cc(Nc2nccn3c(-c4ccc(Cl)cc4)cnc23)ccc1C(=O)N(C)CCC1CCNCC1.Cl.
What is the InChIKey of 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is YYVXICIYAXJWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN6O.ClH/c1-19-17-23(7-8-24(19)28(36)34(2)15-11-20-9-12-30-13-10-20)33-26-27-32-18-25(35(27)16-14-31-26)21-3-5-22(29)6-4-21;/h3-8,14,16-18,20,30H,9-13,15H2,1-2H3,(H,31,33);1H.
What are the key properties of 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride?
4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 539.51 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-piperidin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 166593370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).