2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one

C16H19ClN6O2 — CID 165152448

IUPAC2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)n1c(Cl)nn2c(-c3cnn(C4CCCCO4)c3)cnc2c1=O
InChIInChI=1S/C16H19ClN6O2/c1-10(2)22-15(24)14-18-8-12(23(14)20-16(22)17)11-7-19-21(9-11)13-5-3-4-6-25-13/h7-10,13H,3-6H2,1-2H3
InChIKeyKYMGMLGBYXPXON-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one

2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 165152448) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID165152448
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)n1c(Cl)nn2c(-c3cnn(C4CCCCO4)c3)cnc2c1=O
InChIInChI=1S/C16H19ClN6O2/c1-10(2)22-15(24)14-18-8-12(23(14)20-16(22)17)11-7-19-21(9-11)13-5-3-4-6-25-13/h7-10,13H,3-6H2,1-2H3
InChIKeyKYMGMLGBYXPXON-UHFFFAOYSA-N
XLogP2.69
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide
CID 160614014
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
5-[1-(oxan-2-yl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439348
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
1-methyl-3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenoxy]pyrazin-2-one
CID 138040986
3-[1-(3-hydroxyphenyl)ethyl]-6-[1-(oxan-2-yl)pyrazol-4-yl]quinazolin-4-one
CID 155594126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one (CID 165152448) is 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one is CC(C)n1c(Cl)nn2c(-c3cnn(C4CCCCO4)c3)cnc2c1=O.
What is the InChIKey of 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is KYMGMLGBYXPXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-10(2)22-15(24)14-18-8-12(23(14)20-16(22)17)11-7-19-21(9-11)13-5-3-4-6-25-13/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 362.82 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-(oxan-2-yl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 165152448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).