[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone

C23H23ClN4O2 — CID 6623781

IUPAC[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCCN(Cc3ccccc3Cl)C2)c2c1-c1ccccc1OC2
InChIInChI=1S/C23H23ClN4O2/c1-26-22-17-8-3-5-10-20(17)30-14-18(22)21(25-26)23(29)28-12-6-11-27(15-28)13-16-7-2-4-9-19(16)24/h2-5,7-10H,6,11-15H2,1H3
InChIKeyYVIRERZFDLXHMK-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.94
Rot. Bonds3

About [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone

[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone (PubChem CID 6623781) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
PubChem CID6623781
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCCN(Cc3ccccc3Cl)C2)c2c1-c1ccccc1OC2
InChIInChI=1S/C23H23ClN4O2/c1-26-22-17-8-3-5-10-20(17)30-14-18(22)21(25-26)23(29)28-12-6-11-27(15-28)13-16-7-2-4-9-19(16)24/h2-5,7-10H,6,11-15H2,1H3
InChIKeyYVIRERZFDLXHMK-UHFFFAOYSA-N
XLogP3.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone 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 [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone?
The IUPAC name of [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone (CID 6623781) is [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone?
The canonical SMILES for [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone is Cn1nc(C(=O)N2CCCN(Cc3ccccc3Cl)C2)c2c1-c1ccccc1OC2.
What is the InChIKey of [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone?
The InChIKey is YVIRERZFDLXHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-26-22-17-8-3-5-10-20(17)30-14-18(22)21(25-26)23(29)28-12-6-11-27(15-28)13-16-7-2-4-9-19(16)24/h2-5,7-10H,6,11-15H2,1H3.
What are the key properties of [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone?
[3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone has a molecular weight of 422.92 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone is sourced from PubChem (CID 6623781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).