5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid

C27H30N6O4 — CID 175843584

IUPAC5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCNC(=O)O)c(C)c4)nccn23)cc1
InChIInChI=1S/C27H30N6O4/c1-18-16-20(8-11-22(18)26(34)29-12-4-3-5-13-30-27(35)36)32-24-25-31-17-23(33(25)15-14-28-24)19-6-9-21(37-2)10-7-19/h6-11,14-17,30H,3-5,12-13H2,1-2H3,(H,28,32)(H,29,34)(H,35,36)
InChIKeyZDXRBUIRPIVYAA-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.62
Rot. Bonds11

About 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid

5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid (PubChem CID 175843584) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid.

Molecular Properties

Compound Name5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid
PubChem CID175843584
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC Name5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCNC(=O)O)c(C)c4)nccn23)cc1
InChIInChI=1S/C27H30N6O4/c1-18-16-20(8-11-22(18)26(34)29-12-4-3-5-13-30-27(35)36)32-24-25-31-17-23(33(25)15-14-28-24)19-6-9-21(37-2)10-7-19/h6-11,14-17,30H,3-5,12-13H2,1-2H3,(H,28,32)(H,29,34)(H,35,36)
InChIKeyZDXRBUIRPIVYAA-UHFFFAOYSA-N
XLogP4.62
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 154943656
N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
CID 162384534
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
N-(7-aminoheptyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
CID 166579740
tert-butyl N-[2-[2-[[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]ethoxy]ethyl]carbamate
CID 162384897
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
N-[(5S)-5-aminohexyl]-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 166593418
3-[[1-[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]methylamino]propanenitrile
CID 154943418
4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-[2-[2-(4-hydroxypiperidin-1-yl)ethoxy]ethyl]-2-methylbenzamide
CID 154943771
N-[2-[2-[[2-[bis(2-hydroxyethyl)amino]acetyl]amino]ethoxy]ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 154943706
N-(2-aminoethyl)-4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 167318488

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid?
The IUPAC name of 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid (CID 175843584) is 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid.
What is the SMILES notation for 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid?
The canonical SMILES for 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCNC(=O)O)c(C)c4)nccn23)cc1.
What is the InChIKey of 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid?
The InChIKey is ZDXRBUIRPIVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-18-16-20(8-11-22(18)26(34)29-12-4-3-5-13-30-27(35)36)32-24-25-31-17-23(33(25)15-14-28-24)19-6-9-21(37-2)10-7-19/h6-11,14-17,30H,3-5,12-13H2,1-2H3,(H,28,32)(H,29,34)(H,35,36).
What are the key properties of 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid?
5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid has a molecular weight of 502.58 g/mol, XLogP of 4.62, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]amino]pentylcarbamic acid is sourced from PubChem (CID 175843584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).