4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide

C27H26N6OS — CID 66675904

IUPAC4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H26N6OS/c1-29-27(34)18-7-5-17(6-8-18)26-32-23(24-25(28)30-12-13-33(24)26)19-9-4-16-10-11-20(31-21(16)15-19)22-3-2-14-35-22/h2-4,9-15,17-18H,5-8H2,1H3,(H2,28,30)(H,29,34)
InChIKeyQBOULMQVLZHEDC-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.28
Rot. Bonds4

About 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide

4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide (PubChem CID 66675904) has the molecular formula C27H26N6OS and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
PubChem CID66675904
Molecular FormulaC27H26N6OS
Molecular Weight482.61 g/mol
Exact Mass482.19
IUPAC Name4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H26N6OS/c1-29-27(34)18-7-5-17(6-8-18)26-32-23(24-25(28)30-12-13-33(24)26)19-9-4-16-10-11-20(31-21(16)15-19)22-3-2-14-35-22/h2-4,9-15,17-18H,5-8H2,1H3,(H2,28,30)(H,29,34)
InChIKeyQBOULMQVLZHEDC-UHFFFAOYSA-N
XLogP5.28
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.28
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-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide (CID 66675904) is 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is QBOULMQVLZHEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6OS/c1-29-27(34)18-7-5-17(6-8-18)26-32-23(24-25(28)30-12-13-33(24)26)19-9-4-16-10-11-20(31-21(16)15-19)22-3-2-14-35-22/h2-4,9-15,17-18H,5-8H2,1H3,(H2,28,30)(H,29,34).
What are the key properties of 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 66675904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).