6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H15ClN4 — CID 121455961

IUPAC6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)cc1
InChIInChI=1S/C18H15ClN4/c19-14-4-6-15(7-5-14)23-10-8-16-13(12-23)11-21-18(22-16)17-3-1-2-9-20-17/h1-7,9,11H,8,10,12H2
InChIKeyDNZLERHJEJXHRA-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.75
Rot. Bonds2

About 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455961) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455961
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC Name6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)cc1
InChIInChI=1S/C18H15ClN4/c19-14-4-6-15(7-5-14)23-10-8-16-13(12-23)11-21-18(22-16)17-3-1-2-9-20-17/h1-7,9,11H,8,10,12H2
InChIKeyDNZLERHJEJXHRA-UHFFFAOYSA-N
XLogP3.75
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-2-pyridin-2-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-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455961) is 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DNZLERHJEJXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c19-14-4-6-15(7-5-14)23-10-8-16-13(12-23)11-21-18(22-16)17-3-1-2-9-20-17/h1-7,9,11H,8,10,12H2.
What are the key properties of 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 322.80 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).