6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H25ClFN5 — CID 20960732

IUPAC6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)CC1
InChIInChI=1S/C20H25ClFN5/c1-2-25-7-9-27(10-8-25)20-23-12-16-14-26(6-5-19(16)24-20)13-15-3-4-17(21)18(22)11-15/h3-4,11-12H,2,5-10,13-14H2,1H3
InChIKeyFNQFXPJGJCKDGK-UHFFFAOYSA-N
MW389.91 g/mol
LogP2.97
Rot. Bonds4

About 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960732) has the molecular formula C20H25ClFN5 and a molecular weight of 389.91 g/mol. Its IUPAC name is 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960732
Molecular FormulaC20H25ClFN5
Molecular Weight389.91 g/mol
Exact Mass389.18
IUPAC Name6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)CC1
InChIInChI=1S/C20H25ClFN5/c1-2-25-7-9-27(10-8-25)20-23-12-16-14-26(6-5-19(16)24-20)13-15-3-4-17(21)18(22)11-15/h3-4,11-12H,2,5-10,13-14H2,1H3
InChIKeyFNQFXPJGJCKDGK-UHFFFAOYSA-N
XLogP2.97
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960732) is 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)CC1.
What is the InChIKey of 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FNQFXPJGJCKDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN5/c1-2-25-7-9-27(10-8-25)20-23-12-16-14-26(6-5-19(16)24-20)13-15-3-4-17(21)18(22)11-15/h3-4,11-12H,2,5-10,13-14H2,1H3.
What are the key properties of 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 389.91 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-3-fluorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).