carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C28H28N6O3 — CID 68898085

IUPACcarbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNC(=O)O.Nc1nccn2c(C3CCCCC3)nc(-c3ccc4ccc(Oc5ccccc5)nc4c3)c12
InChIInChI=1S/C27H25N5O.CH3NO2/c28-26-25-24(31-27(32(25)16-15-29-26)19-7-3-1-4-8-19)20-12-11-18-13-14-23(30-22(18)17-20)33-21-9-5-2-6-10-21;2-1(3)4/h2,5-6,9-17,19H,1,3-4,7-8H2,(H2,28,29);2H2,(H,3,4)
InChIKeyVNWHRKVNNYDPNW-UHFFFAOYSA-N
MW496.57 g/mol
LogP5.99
Rot. Bonds4

About carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 68898085) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Namecarbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID68898085
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Namecarbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNC(=O)O.Nc1nccn2c(C3CCCCC3)nc(-c3ccc4ccc(Oc5ccccc5)nc4c3)c12
InChIInChI=1S/C27H25N5O.CH3NO2/c28-26-25-24(31-27(32(25)16-15-29-26)19-7-3-1-4-8-19)20-12-11-18-13-14-23(30-22(18)17-20)33-21-9-5-2-6-10-21;2-1(3)4/h2,5-6,9-17,19H,1,3-4,7-8H2,(H2,28,29);2H2,(H,3,4)
InChIKeyVNWHRKVNNYDPNW-UHFFFAOYSA-N
XLogP5.99
TPSA141.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclohexyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68899663
3-cyclobutyl-1-(3-nitro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539191
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
ethyl 3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 140825201
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
3-cyclohexyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)ethyl-methylcarbamic acid
CID 67417945
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
CID 68898257
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548

Frequently Asked Questions

What is the IUPAC name of carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 68898085) is carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is NC(=O)O.Nc1nccn2c(C3CCCCC3)nc(-c3ccc4ccc(Oc5ccccc5)nc4c3)c12.
What is the InChIKey of carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VNWHRKVNNYDPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O.CH3NO2/c28-26-25-24(31-27(32(25)16-15-29-26)19-7-3-1-4-8-19)20-12-11-18-13-14-23(30-22(18)17-20)33-21-9-5-2-6-10-21;2-1(3)4/h2,5-6,9-17,19H,1,3-4,7-8H2,(H2,28,29);2H2,(H,3,4).
What are the key properties of carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 496.57 g/mol, XLogP of 5.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 68898085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).