4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide

C30H29FN6O — CID 53326809

IUPAC4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C30H29FN6O/c1-36(2)30(38)21-10-8-20(9-11-21)29-35-26(27-28(32)33-16-17-37(27)29)22-14-12-19-13-15-23(34-25(19)24(22)31)18-6-4-3-5-7-18/h3-7,12-17,20-21H,8-11H2,1-2H3,(H2,32,33)
InChIKeyPKWNQLPXEORTDC-UHFFFAOYSA-N
MW508.60 g/mol
LogP5.69
Rot. Bonds4

About 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide

4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 53326809) has the molecular formula C30H29FN6O and a molecular weight of 508.60 g/mol. Its IUPAC name is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID53326809
Molecular FormulaC30H29FN6O
Molecular Weight508.60 g/mol
Exact Mass508.24
IUPAC Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C30H29FN6O/c1-36(2)30(38)21-10-8-20(9-11-21)29-35-26(27-28(32)33-16-17-37(27)29)22-14-12-19-13-15-23(34-25(19)24(22)31)18-6-4-3-5-7-18/h3-7,12-17,20-21H,8-11H2,1-2H3,(H2,32,33)
InChIKeyPKWNQLPXEORTDC-UHFFFAOYSA-N
XLogP5.69
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide (CID 53326809) is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is PKWNQLPXEORTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O/c1-36(2)30(38)21-10-8-20(9-11-21)29-35-26(27-28(32)33-16-17-37(27)29)22-14-12-19-13-15-23(34-25(19)24(22)31)18-6-4-3-5-7-18/h3-7,12-17,20-21H,8-11H2,1-2H3,(H2,32,33).
What are the key properties of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?
4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 53326809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).