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

C36H30FN7O — CID 53324563

IUPAC4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4ccc5[nH]ccc5c4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C36H30FN7O/c37-30-27(13-10-22-11-14-29(42-31(22)30)21-4-2-1-3-5-21)32-33-34(38)40-18-19-44(33)35(43-32)23-6-8-24(9-7-23)36(45)41-26-12-15-28-25(20-26)16-17-39-28/h1-5,10-20,23-24,39H,6-9H2,(H2,38,40)(H,41,45)
InChIKeyFSNHRWXQSVTSFB-UHFFFAOYSA-N
MW595.68 g/mol
LogP7.73
Rot. Bonds5

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

4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide (PubChem CID 53324563) has the molecular formula C36H30FN7O and a molecular weight of 595.68 g/mol. Its IUPAC name is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide
PubChem CID53324563
Molecular FormulaC36H30FN7O
Molecular Weight595.68 g/mol
Exact Mass595.25
IUPAC Name4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide
SMILESNc1nccn2c(C3CCC(C(=O)Nc4ccc5[nH]ccc5c4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C36H30FN7O/c37-30-27(13-10-22-11-14-29(42-31(22)30)21-4-2-1-3-5-21)32-33-34(38)40-18-19-44(33)35(43-32)23-6-8-24(9-7-23)36(45)41-26-12-15-28-25(20-26)16-17-39-28/h1-5,10-20,23-24,39H,6-9H2,(H2,38,40)(H,41,45)
InChIKeyFSNHRWXQSVTSFB-UHFFFAOYSA-N
XLogP7.73
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.68
LogP ≤ 57.73
H-Bond Donors ≤ 53
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-(1H-indol-5-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]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide (CID 53324563) is 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-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]-N-(1H-indol-5-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]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide is Nc1nccn2c(C3CCC(C(=O)Nc4ccc5[nH]ccc5c4)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-(1H-indol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is FSNHRWXQSVTSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30FN7O/c37-30-27(13-10-22-11-14-29(42-31(22)30)21-4-2-1-3-5-21)32-33-34(38)40-18-19-44(33)35(43-32)23-6-8-24(9-7-23)36(45)41-26-12-15-28-25(20-26)16-17-39-28/h1-5,10-20,23-24,39H,6-9H2,(H2,38,40)(H,41,45).
What are the key properties of 4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide?
4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-indol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 595.68 g/mol, XLogP of 7.73, 5 rotatable bonds, 3 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-(1H-indol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 53324563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).