6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline

C27H19N7 — CID 25145666

IUPAC6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline
SMILESc1cnc2ccc(C3(c4cnc5ncc(-c6ccc(-c7cncnc7)cc6)nn45)CC3)cc2c1
InChIInChI=1S/C27H19N7/c1-2-20-12-22(7-8-23(20)30-11-1)27(9-10-27)25-16-32-26-31-15-24(33-34(25)26)19-5-3-18(4-6-19)21-13-28-17-29-14-21/h1-8,11-17H,9-10H2
InChIKeyHCVYBDRBVXZTHN-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.88
Rot. Bonds4

About 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline

6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline (PubChem CID 25145666) has the molecular formula C27H19N7 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline
PubChem CID25145666
Molecular FormulaC27H19N7
Molecular Weight441.50 g/mol
Exact Mass441.17
IUPAC Name6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline
SMILESc1cnc2ccc(C3(c4cnc5ncc(-c6ccc(-c7cncnc7)cc6)nn45)CC3)cc2c1
InChIInChI=1S/C27H19N7/c1-2-20-12-22(7-8-23(20)30-11-1)27(9-10-27)25-16-32-26-31-15-24(33-34(25)26)19-5-3-18(4-6-19)21-13-28-17-29-14-21/h1-8,11-17H,9-10H2
InChIKeyHCVYBDRBVXZTHN-UHFFFAOYSA-N
XLogP4.88
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline?
The IUPAC name of 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline (CID 25145666) is 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline?
The canonical SMILES for 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline is c1cnc2ccc(C3(c4cnc5ncc(-c6ccc(-c7cncnc7)cc6)nn45)CC3)cc2c1.
What is the InChIKey of 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline?
The InChIKey is HCVYBDRBVXZTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7/c1-2-20-12-22(7-8-23(20)30-11-1)27(9-10-27)25-16-32-26-31-15-24(33-34(25)26)19-5-3-18(4-6-19)21-13-28-17-29-14-21/h1-8,11-17H,9-10H2.
What are the key properties of 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline?
6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline has a molecular weight of 441.50 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(4-pyrimidin-5-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]cyclopropyl]quinoline is sourced from PubChem (CID 25145666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).