1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone

C24H25FN4O2 — CID 5307758

IUPAC1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCN(Cc3ccccc3F)C1)CO2
InChIInChI=1S/C24H25FN4O2/c1-17-7-8-22-20(11-17)24-19(15-31-22)12-26-29(24)14-23(30)28-10-4-9-27(16-28)13-18-5-2-3-6-21(18)25/h2-3,5-8,11-12H,4,9-10,13-16H2,1H3
InChIKeyWQMGJQCQQDJBPM-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.58
Rot. Bonds4

About 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone

1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone (PubChem CID 5307758) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
PubChem CID5307758
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCN(Cc3ccccc3F)C1)CO2
InChIInChI=1S/C24H25FN4O2/c1-17-7-8-22-20(11-17)24-19(15-31-22)12-26-29(24)14-23(30)28-10-4-9-27(16-28)13-18-5-2-3-6-21(18)25/h2-3,5-8,11-12H,4,9-10,13-16H2,1H3
InChIKeyWQMGJQCQQDJBPM-UHFFFAOYSA-N
XLogP3.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone 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 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
The IUPAC name of 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone (CID 5307758) is 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone is Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCN(Cc3ccccc3F)C1)CO2.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
The InChIKey is WQMGJQCQQDJBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-17-7-8-22-20(11-17)24-19(15-31-22)12-26-29(24)14-23(30)28-10-4-9-27(16-28)13-18-5-2-3-6-21(18)25/h2-3,5-8,11-12H,4,9-10,13-16H2,1H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone has a molecular weight of 420.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone is sourced from PubChem (CID 5307758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).