2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine

C17H23ClFN5O — CID 165001004

IUPAC2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@H]1OC(c2cnc3c(NC4CCCC4)nc(Cl)nn23)[C@@H](F)[C@@H]1C
InChIInChI=1S/C17H23ClFN5O/c1-3-12-9(2)13(19)14(25-12)11-8-20-16-15(21-10-6-4-5-7-10)22-17(18)23-24(11)16/h8-10,12-14H,3-7H2,1-2H3,(H,21,22,23)/t9-,12-,13+,14?/m1/s1
InChIKeyXMNJZTDBHLKNJN-IOCATXQGSA-N
MW367.86 g/mol
LogP3.96
Rot. Bonds4

About 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine

2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165001004) has the molecular formula C17H23ClFN5O and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID165001004
Molecular FormulaC17H23ClFN5O
Molecular Weight367.86 g/mol
Exact Mass367.16
IUPAC Name2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@H]1OC(c2cnc3c(NC4CCCC4)nc(Cl)nn23)[C@@H](F)[C@@H]1C
InChIInChI=1S/C17H23ClFN5O/c1-3-12-9(2)13(19)14(25-12)11-8-20-16-15(21-10-6-4-5-7-10)22-17(18)23-24(11)16/h8-10,12-14H,3-7H2,1-2H3,(H,21,22,23)/t9-,12-,13+,14?/m1/s1
InChIKeyXMNJZTDBHLKNJN-IOCATXQGSA-N
XLogP3.96
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine 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 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 165001004) is 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine is CC[C@H]1OC(c2cnc3c(NC4CCCC4)nc(Cl)nn23)[C@@H](F)[C@@H]1C.
What is the InChIKey of 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XMNJZTDBHLKNJN-IOCATXQGSA-N. The full InChI is InChI=1S/C17H23ClFN5O/c1-3-12-9(2)13(19)14(25-12)11-8-20-16-15(21-10-6-4-5-7-10)22-17(18)23-24(11)16/h8-10,12-14H,3-7H2,1-2H3,(H,21,22,23)/t9-,12-,13+,14?/m1/s1.
What are the key properties of 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 367.86 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-7-[(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 165001004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).