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

C27H26N6OS — CID 66676557

IUPAC4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCc1cc(-c2cccs2)nc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C27H26N6OS/c1-15-13-21(22-3-2-12-35-22)31-20-14-18(8-9-19(15)20)23-24-25(28)30-10-11-33(24)27(32-23)17-6-4-16(5-7-17)26(29)34/h2-3,8-14,16-17H,4-7H2,1H3,(H2,28,30)(H2,29,34)
InChIKeyIQBWFTIHWGNIOU-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.32
Rot. Bonds4

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

4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 66676557) has the molecular formula C27H26N6OS and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID66676557
Molecular FormulaC27H26N6OS
Molecular Weight482.61 g/mol
Exact Mass482.19
IUPAC Name4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESCc1cc(-c2cccs2)nc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C27H26N6OS/c1-15-13-21(22-3-2-12-35-22)31-20-14-18(8-9-19(15)20)23-24-25(28)30-10-11-33(24)27(32-23)17-6-4-16(5-7-17)26(29)34/h2-3,8-14,16-17H,4-7H2,1H3,(H2,28,30)(H2,29,34)
InChIKeyIQBWFTIHWGNIOU-UHFFFAOYSA-N
XLogP5.32
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.32
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-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 66676557) is 4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is Cc1cc(-c2cccs2)nc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is IQBWFTIHWGNIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6OS/c1-15-13-21(22-3-2-12-35-22)31-20-14-18(8-9-19(15)20)23-24-25(28)30-10-11-33(24)27(32-23)17-6-4-16(5-7-17)26(29)34/h2-3,8-14,16-17H,4-7H2,1H3,(H2,28,30)(H2,29,34).
What are the key properties of 4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-1-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 5.32, 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-(4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 66676557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).