(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C16H12Cl2N6O — CID 86281680

IUPAC(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-n2nccn2)C1
InChIInChI=1S/C16H12Cl2N6O/c17-12-3-1-2-11(14(12)18)16(25)23-7-4-10-13(8-23)19-9-20-15(10)24-21-5-6-22-24/h1-3,5-6,9H,4,7-8H2
InChIKeyKPHGUEVGZGDNLE-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.56
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 86281680) has the molecular formula C16H12Cl2N6O and a molecular weight of 375.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID86281680
Molecular FormulaC16H12Cl2N6O
Molecular Weight375.22 g/mol
Exact Mass374.04
IUPAC Name(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-n2nccn2)C1
InChIInChI=1S/C16H12Cl2N6O/c17-12-3-1-2-11(14(12)18)16(25)23-7-4-10-13(8-23)19-9-20-15(10)24-21-5-6-22-24/h1-3,5-6,9H,4,7-8H2
InChIKeyKPHGUEVGZGDNLE-UHFFFAOYSA-N
XLogP2.56
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-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

Related Compounds

(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
(3-Chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621510
(3-Chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10622421
(3,4-Dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10646934
(3,4-Dichlorophenyl)-[4-[[(6-imidazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10694580
(3,4-Dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10742699
(2,3-dichlorophenyl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599177
7-[(2,3-Dichlorophenyl)carbonyl]-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 66599198
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 86271108
(2,3-dichlorophenyl)-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 90407576
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-4-methyl-1-(4-methylpyrimidin-2-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90410911

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 86281680) is (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-n2nccn2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is KPHGUEVGZGDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N6O/c17-12-3-1-2-11(14(12)18)16(25)23-7-4-10-13(8-23)19-9-20-15(10)24-21-5-6-22-24/h1-3,5-6,9H,4,7-8H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 375.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(triazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 86281680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).