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

C33H28FN7O — CID 53323212

IUPAC4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4ccccn4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C33H28FN7O/c34-27-24(15-13-21-14-16-25(38-28(21)27)20-6-2-1-3-7-20)29-30-31(35)37-18-19-41(30)32(40-29)22-9-11-23(12-10-22)33(42)39-26-8-4-5-17-36-26/h1-8,13-19,22-23H,9-12H2,(H2,35,37)(H,36,39,42)
InChIKeyMOBOQJSKEGEPRI-UHFFFAOYSA-N
MW557.63 g/mol
LogP6.64
Rot. Bonds5

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

4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 53323212) has the molecular formula C33H28FN7O and a molecular weight of 557.63 g/mol. Its IUPAC name is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID53323212
Molecular FormulaC33H28FN7O
Molecular Weight557.63 g/mol
Exact Mass557.23
IUPAC Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4ccccn4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C33H28FN7O/c34-27-24(15-13-21-14-16-25(38-28(21)27)20-6-2-1-3-7-20)29-30-31(35)37-18-19-41(30)32(40-29)22-9-11-23(12-10-22)33(42)39-26-8-4-5-17-36-26/h1-8,13-19,22-23H,9-12H2,(H2,35,37)(H,36,39,42)
InChIKeyMOBOQJSKEGEPRI-UHFFFAOYSA-N
XLogP6.64
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.63
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 53323212) is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-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-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide is Nc1nccn2c(C3CCC(C(=O)Nc4ccccn4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12.
What is the InChIKey of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is MOBOQJSKEGEPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN7O/c34-27-24(15-13-21-14-16-25(38-28(21)27)20-6-2-1-3-7-20)29-30-31(35)37-18-19-41(30)32(40-29)22-9-11-23(12-10-22)33(42)39-26-8-4-5-17-36-26/h1-8,13-19,22-23H,9-12H2,(H2,35,37)(H,36,39,42).
What are the key properties of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 557.63 g/mol, XLogP of 6.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 53323212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).