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

C28H24ClN5O3 — CID 91311381

IUPAC4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESNc1nc(-c2cc3nc(Oc4ccccc4)ccc3cc2Cl)cn2c(C3CCC(C(=O)O)CC3)ncc12
InChIInChI=1S/C28H24ClN5O3/c29-21-12-18-10-11-25(37-19-4-2-1-3-5-19)32-22(18)13-20(21)23-15-34-24(26(30)33-23)14-31-27(34)16-6-8-17(9-7-16)28(35)36/h1-5,10-17H,6-9H2,(H2,30,33)(H,35,36)
InChIKeyAJLGZZIBCYNDPV-UHFFFAOYSA-N
MW513.99 g/mol
LogP6.33
Rot. Bonds5

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

4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 91311381) has the molecular formula C28H24ClN5O3 and a molecular weight of 513.99 g/mol. Its IUPAC name is 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
PubChem CID91311381
Molecular FormulaC28H24ClN5O3
Molecular Weight513.99 g/mol
Exact Mass513.16
IUPAC Name4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESNc1nc(-c2cc3nc(Oc4ccccc4)ccc3cc2Cl)cn2c(C3CCC(C(=O)O)CC3)ncc12
InChIInChI=1S/C28H24ClN5O3/c29-21-12-18-10-11-25(37-19-4-2-1-3-5-19)32-22(18)13-20(21)23-15-34-24(26(30)33-23)14-31-27(34)16-6-8-17(9-7-16)28(35)36/h1-5,10-17H,6-9H2,(H2,30,33)(H,35,36)
InChIKeyAJLGZZIBCYNDPV-UHFFFAOYSA-N
XLogP6.33
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.99
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[8-amino-6-(4-methyl-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 69305769
4-[4-amino-5-(6-chloro-2-phenoxyquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylcyclohexane-1-carboxamide
CID 66676499
carbamic acid;3-(6-chloro-2-phenoxyquinolin-7-yl)-1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine
CID 130332111
carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68898085
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
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
4-[4-amino-5-(6-chloro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide
CID 66677029
4-[4-amino-5-(2-phenoxyquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxamide
CID 66675812
1-(4-phenoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122047372
4-[4-amino-3-(2-phenoxyquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxamide
CID 66677064
4-isoquinolin-3-ylcycloheptane-1-carboxylic acid
CID 139695403

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (CID 91311381) is 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is Nc1nc(-c2cc3nc(Oc4ccccc4)ccc3cc2Cl)cn2c(C3CCC(C(=O)O)CC3)ncc12.
What is the InChIKey of 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The InChIKey is AJLGZZIBCYNDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O3/c29-21-12-18-10-11-25(37-19-4-2-1-3-5-19)32-22(18)13-20(21)23-15-34-24(26(30)33-23)14-31-27(34)16-6-8-17(9-7-16)28(35)36/h1-5,10-17H,6-9H2,(H2,30,33)(H,35,36).
What are the key properties of 4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
4-[8-amino-6-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 513.99 g/mol, XLogP of 6.33, 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-(6-chloro-2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91311381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).