4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide

C26H25N7OS — CID 66676979

IUPAC4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)ncnn23)CC1
InChIInChI=1S/C26H25N7OS/c1-28-26(34)17-7-5-16(6-8-17)25-32-22(23-24(27)29-14-30-33(23)25)18-9-4-15-10-11-19(31-20(15)13-18)21-3-2-12-35-21/h2-4,9-14,16-17H,5-8H2,1H3,(H,28,34)(H2,27,29,30)
InChIKeyVNZWYAYZHCVQBX-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.67
Rot. Bonds4

About 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide

4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide (PubChem CID 66676979) has the molecular formula C26H25N7OS and a molecular weight of 483.60 g/mol. Its IUPAC name is 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide
PubChem CID66676979
Molecular FormulaC26H25N7OS
Molecular Weight483.60 g/mol
Exact Mass483.18
IUPAC Name4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)ncnn23)CC1
InChIInChI=1S/C26H25N7OS/c1-28-26(34)17-7-5-16(6-8-17)25-32-22(23-24(27)29-14-30-33(23)25)18-9-4-15-10-11-19(31-20(15)13-18)21-3-2-12-35-21/h2-4,9-14,16-17H,5-8H2,1H3,(H,28,34)(H2,27,29,30)
InChIKeyVNZWYAYZHCVQBX-UHFFFAOYSA-N
XLogP4.67
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide (CID 66676979) is 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5cccs5)nc4c3)c3c(N)ncnn23)CC1.
What is the InChIKey of 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is VNZWYAYZHCVQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7OS/c1-28-26(34)17-7-5-16(6-8-17)25-32-22(23-24(27)29-14-30-33(23)25)18-9-4-15-10-11-19(31-20(15)13-18)21-3-2-12-35-21/h2-4,9-14,16-17H,5-8H2,1H3,(H,28,34)(H2,27,29,30).
What are the key properties of 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide?
4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 483.60 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 66676979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).