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

C28H25FN6O — CID 53316637

IUPAC4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C28H25FN6O/c29-22-20(12-10-17-11-13-21(33-23(17)22)16-4-2-1-3-5-16)24-25-26(30)32-14-15-35(25)28(34-24)19-8-6-18(7-9-19)27(31)36/h1-5,10-15,18-19H,6-9H2,(H2,30,32)(H2,31,36)
InChIKeyVKQVOTWWWBKYJK-UHFFFAOYSA-N
MW480.55 g/mol
LogP5.09
Rot. Bonds4

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

4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 53316637) has the molecular formula C28H25FN6O and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID53316637
Molecular FormulaC28H25FN6O
Molecular Weight480.55 g/mol
Exact Mass480.21
IUPAC Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1
InChIInChI=1S/C28H25FN6O/c29-22-20(12-10-17-11-13-21(33-23(17)22)16-4-2-1-3-5-16)24-25-26(30)32-14-15-35(25)28(34-24)19-8-6-18(7-9-19)27(31)36/h1-5,10-15,18-19H,6-9H2,(H2,30,32)(H2,31,36)
InChIKeyVKQVOTWWWBKYJK-UHFFFAOYSA-N
XLogP5.09
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
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]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 53316637) is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-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]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is NC(=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]cyclohexane-1-carboxamide?
The InChIKey is VKQVOTWWWBKYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O/c29-22-20(12-10-17-11-13-21(33-23(17)22)16-4-2-1-3-5-16)24-25-26(30)32-14-15-35(25)28(34-24)19-8-6-18(7-9-19)27(31)36/h1-5,10-15,18-19H,6-9H2,(H2,30,32)(H2,31,36).
What are the key properties of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 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]cyclohexane-1-carboxamide is sourced from PubChem (CID 53316637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).