4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide

C29H28N6O2 — CID 69305769

IUPAC4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCc1cc(Oc2ccccc2)nc2cc(-c3cn4c(C5CCC(C(N)=O)CC5)ncc4c(N)n3)ccc12
InChIInChI=1S/C29H28N6O2/c1-17-13-26(37-21-5-3-2-4-6-21)33-23-14-20(11-12-22(17)23)24-16-35-25(27(30)34-24)15-32-29(35)19-9-7-18(8-10-19)28(31)36/h2-6,11-16,18-19H,7-10H2,1H3,(H2,30,34)(H2,31,36)
InChIKeyLFJFSUMMBWERHS-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.39
Rot. Bonds5

About 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide

4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 69305769) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID69305769
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCc1cc(Oc2ccccc2)nc2cc(-c3cn4c(C5CCC(C(N)=O)CC5)ncc4c(N)n3)ccc12
InChIInChI=1S/C29H28N6O2/c1-17-13-26(37-21-5-3-2-4-6-21)33-23-14-20(11-12-22(17)23)24-16-35-25(27(30)34-24)15-32-29(35)19-9-7-18(8-10-19)28(31)36/h2-6,11-16,18-19H,7-10H2,1H3,(H2,30,34)(H2,31,36)
InChIKeyLFJFSUMMBWERHS-UHFFFAOYSA-N
XLogP5.39
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 91311381
1-[5-[8-amino-6-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]prop-2-en-1-one
CID 118356671
4-[8-amino-6-(6-chloro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 69304753
4-[4-amino-5-(2-phenoxyquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxamide
CID 66675812
4-[4-amino-3-(2-phenoxyquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxamide
CID 66677064
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68898085
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;[4-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl 4-methylbenzenesulfonate;1-(4-methyl-2-phenylquinolin-7-yl)-3-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine
CID 159932256
3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702415
1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822427

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 69305769) is 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is Cc1cc(Oc2ccccc2)nc2cc(-c3cn4c(C5CCC(C(N)=O)CC5)ncc4c(N)n3)ccc12.
What is the InChIKey of 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is LFJFSUMMBWERHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-17-13-26(37-21-5-3-2-4-6-21)33-23-14-20(11-12-22(17)23)24-16-35-25(27(30)34-24)15-32-29(35)19-9-7-18(8-10-19)28(31)36/h2-6,11-16,18-19H,7-10H2,1H3,(H2,30,34)(H2,31,36).
What are the key properties of 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 69305769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).