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

C19H20ClFN4 — CID 24929159

IUPAC6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(CN2CCc3nc(C4=NCCCC4)ncc3C2)c(Cl)c1
InChIInChI=1S/C19H20ClFN4/c20-16-9-15(21)5-4-13(16)11-25-8-6-17-14(12-25)10-23-19(24-17)18-3-1-2-7-22-18/h4-5,9-10H,1-3,6-8,11-12H2
InChIKeyWRXHIMOMJNQPNE-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.80
Rot. Bonds3

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

6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929159) has the molecular formula C19H20ClFN4 and a molecular weight of 358.85 g/mol. Its IUPAC name is 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24929159
Molecular FormulaC19H20ClFN4
Molecular Weight358.85 g/mol
Exact Mass358.14
IUPAC Name6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(CN2CCc3nc(C4=NCCCC4)ncc3C2)c(Cl)c1
InChIInChI=1S/C19H20ClFN4/c20-16-9-15(21)5-4-13(16)11-25-8-6-17-14(12-25)10-23-19(24-17)18-3-1-2-7-22-18/h4-5,9-10H,1-3,6-8,11-12H2
InChIKeyWRXHIMOMJNQPNE-UHFFFAOYSA-N
XLogP3.80
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,4-dichlorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928508
6-[(2-chloro-6-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929243
6-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911873
6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914582
6-[(2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928928
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929894
6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911684
6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916472
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911852
6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909752
6,8-dichloro-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24909458
6-[(2,4-dichlorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928507

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929159) is 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc(CN2CCc3nc(C4=NCCCC4)ncc3C2)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WRXHIMOMJNQPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4/c20-16-9-15(21)5-4-13(16)11-25-8-6-17-14(12-25)10-23-19(24-17)18-3-1-2-7-22-18/h4-5,9-10H,1-3,6-8,11-12H2.
What are the key properties of 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 358.85 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).