4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide

C26H24N6OS — CID 69303932

IUPAC4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5ccc(-c6cccs6)nc5c4)cn23)CC1
InChIInChI=1S/C26H24N6OS/c27-24-22-13-29-26(17-6-4-16(5-7-17)25(28)33)32(22)14-21(31-24)18-8-3-15-9-10-19(30-20(15)12-18)23-2-1-11-34-23/h1-3,8-14,16-17H,4-7H2,(H2,27,31)(H2,28,33)
InChIKeyZFQRKLCVNANXDE-UHFFFAOYSA-N
MW468.59 g/mol
LogP5.01
Rot. Bonds4

About 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide

4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 69303932) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID69303932
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC Name4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5ccc(-c6cccs6)nc5c4)cn23)CC1
InChIInChI=1S/C26H24N6OS/c27-24-22-13-29-26(17-6-4-16(5-7-17)25(28)33)32(22)14-21(31-24)18-8-3-15-9-10-19(30-20(15)12-18)23-2-1-11-34-23/h1-3,8-14,16-17H,4-7H2,(H2,27,31)(H2,28,33)
InChIKeyZFQRKLCVNANXDE-UHFFFAOYSA-N
XLogP5.01
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 69303932) is 4-[8-amino-6-(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-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is NC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5ccc(-c6cccs6)nc5c4)cn23)CC1.
What is the InChIKey of 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is ZFQRKLCVNANXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c27-24-22-13-29-26(17-6-4-16(5-7-17)25(28)33)32(22)14-21(31-24)18-8-3-15-9-10-19(30-20(15)12-18)23-2-1-11-34-23/h1-3,8-14,16-17H,4-7H2,(H2,27,31)(H2,28,33).
What are the key properties of 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 468.59 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-6-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 69303932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).