6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H20BrClN4 — CID 24911361

IUPAC6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2cnccc2-c2cccc(Br)c2)C3)cc1
InChIInChI=1S/C25H20BrClN4/c26-21-3-1-2-18(12-21)23-8-10-28-13-19(23)15-31-11-9-24-20(16-31)14-29-25(30-24)17-4-6-22(27)7-5-17/h1-8,10,12-14H,9,11,15-16H2
InChIKeyIVFKJXKIMUKFTO-UHFFFAOYSA-N
MW491.82 g/mol
LogP6.18
Rot. Bonds4

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

6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911361) has the molecular formula C25H20BrClN4 and a molecular weight of 491.82 g/mol. Its IUPAC name is 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911361
Molecular FormulaC25H20BrClN4
Molecular Weight491.82 g/mol
Exact Mass490.06
IUPAC Name6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2cnccc2-c2cccc(Br)c2)C3)cc1
InChIInChI=1S/C25H20BrClN4/c26-21-3-1-2-18(12-21)23-8-10-28-13-19(23)15-31-11-9-24-20(16-31)14-29-25(30-24)17-4-6-22(27)7-5-17/h1-8,10,12-14H,9,11,15-16H2
InChIKeyIVFKJXKIMUKFTO-UHFFFAOYSA-N
XLogP6.18
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.82
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-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

Related Compounds

4-[6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24911358
6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911352
2-(4-chlorophenyl)-6-[(4-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913713
6-[(5-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913188
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
2-(4-chlorophenyl)-6-[(2-chloroquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909891
2-chloro-3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]phenol
CID 24929130
6-[(2,4-dichlorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928507
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911088
6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915026

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911361) is 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CCN(Cc2cnccc2-c2cccc(Br)c2)C3)cc1.
What is the InChIKey of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IVFKJXKIMUKFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrClN4/c26-21-3-1-2-18(12-21)23-8-10-28-13-19(23)15-31-11-9-24-20(16-31)14-29-25(30-24)17-4-6-22(27)7-5-17/h1-8,10,12-14H,9,11,15-16H2.
What are the key properties of 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 491.82 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).