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

C19H16ClFN4 — CID 24914791

IUPAC6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ncc(Cl)cc1CN1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C19H16ClFN4/c20-16-8-14(18(21)22-10-16)11-25-7-6-17-15(12-25)9-23-19(24-17)13-4-2-1-3-5-13/h1-5,8-10H,6-7,11-12H2
InChIKeyJZVIPGUYOUTKMC-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.89
Rot. Bonds3

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

6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914791) has the molecular formula C19H16ClFN4 and a molecular weight of 354.82 g/mol. Its IUPAC name is 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914791
Molecular FormulaC19H16ClFN4
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC Name6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ncc(Cl)cc1CN1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C19H16ClFN4/c20-16-8-14(18(21)22-10-16)11-25-7-6-17-15(12-25)9-23-19(24-17)13-4-2-1-3-5-13/h1-5,8-10H,6-7,11-12H2
InChIKeyJZVIPGUYOUTKMC-UHFFFAOYSA-N
XLogP3.89
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(2,4-dichlorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928507
6-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929242
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
6-[(2-fluoro-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913102
2-(4-chlorophenyl)-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929571
6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917163
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
2-(4-chlorophenyl)-6-[(2-chloroquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909891
6-[(2-chloro-5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913073

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914791) is 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ncc(Cl)cc1CN1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JZVIPGUYOUTKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4/c20-16-8-14(18(21)22-10-16)11-25-7-6-17-15(12-25)9-23-19(24-17)13-4-2-1-3-5-13/h1-5,8-10H,6-7,11-12H2.
What are the key properties of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 354.82 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).