1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one

C27H29Cl2FN6O — CID 23532605

IUPAC1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESCN(C)CCN1CCN(c2cc3c(c(-c4ccc(F)cc4)n2)CNC(=O)N3c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C27H29Cl2FN6O/c1-33(2)10-11-34-12-14-35(15-13-34)24-16-23-20(25(32-24)18-6-8-19(30)9-7-18)17-31-27(37)36(23)26-21(28)4-3-5-22(26)29/h3-9,16H,10-15,17H2,1-2H3,(H,31,37)
InChIKeyFYPWMLWUOPMRSY-UHFFFAOYSA-N
MW543.47 g/mol
LogP5.24
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one

1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 23532605) has the molecular formula C27H29Cl2FN6O and a molecular weight of 543.47 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
PubChem CID23532605
Molecular FormulaC27H29Cl2FN6O
Molecular Weight543.47 g/mol
Exact Mass542.18
IUPAC Name1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESCN(C)CCN1CCN(c2cc3c(c(-c4ccc(F)cc4)n2)CNC(=O)N3c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C27H29Cl2FN6O/c1-33(2)10-11-34-12-14-35(15-13-34)24-16-23-20(25(32-24)18-6-8-19(30)9-7-18)17-31-27(37)36(23)26-21(28)4-3-5-22(26)29/h3-9,16H,10-15,17H2,1-2H3,(H,31,37)
InChIKeyFYPWMLWUOPMRSY-UHFFFAOYSA-N
XLogP5.24
TPSA54.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one 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

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{[1-(propan-2-yl)piperidin-4-yl]amino}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 16043321
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2-dimethylpropyl)amino]-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647635
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647641
5-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)-7-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647642
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}amino)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647648
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-2-one
CID 23647649
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-(piperidin-4-ylamino)-1,6-naphthyridin-2(1h)-one
CID 22648065
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
CID 23532740
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-1,6-naphthyridin-2-one
CID 23532804
1,6-Naphthyridine 33
CID 5330143
1,6-Naphthyridine 34
CID 5330144
1-(2-Chlorophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 16023499

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one (CID 23532605) is 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one is CN(C)CCN1CCN(c2cc3c(c(-c4ccc(F)cc4)n2)CNC(=O)N3c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is FYPWMLWUOPMRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2FN6O/c1-33(2)10-11-34-12-14-35(15-13-34)24-16-23-20(25(32-24)18-6-8-19(30)9-7-18)17-31-27(37)36(23)26-21(28)4-3-5-22(26)29/h3-9,16H,10-15,17H2,1-2H3,(H,31,37).
What are the key properties of 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 543.47 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-7-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-(4-fluorophenyl)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 23532605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).