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

C26H24N6OS — CID 66677008

IUPAC4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H24N6OS/c27-24-23-22(18-8-3-15-9-10-19(30-20(15)14-18)21-2-1-13-34-21)31-26(32(23)12-11-29-24)17-6-4-16(5-7-17)25(28)33/h1-3,8-14,16-17H,4-7H2,(H2,27,29)(H2,28,33)
InChIKeySPMZWKKEDBCOQR-UHFFFAOYSA-N
MW468.59 g/mol
LogP5.01
Rot. Bonds4

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

4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 66677008) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID66677008
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC Name4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H24N6OS/c27-24-23-22(18-8-3-15-9-10-19(30-20(15)14-18)21-2-1-13-34-21)31-26(32(23)12-11-29-24)17-6-4-16(5-7-17)25(28)33/h1-3,8-14,16-17H,4-7H2,(H2,27,29)(H2,28,33)
InChIKeySPMZWKKEDBCOQR-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-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 66677008) is 4-[8-amino-1-(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-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is NC(=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]cyclohexane-1-carboxamide?
The InChIKey is SPMZWKKEDBCOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c27-24-23-22(18-8-3-15-9-10-19(30-20(15)14-18)21-2-1-13-34-21)31-26(32(23)12-11-29-24)17-6-4-16(5-7-17)25(28)33/h1-3,8-14,16-17H,4-7H2,(H2,27,29)(H2,28,33).
What are the key properties of 4-[8-amino-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-1-(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-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 66677008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).