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

C22H23FN4 — CID 24912087

IUPAC6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cncc(-c3ccc(F)cc3)c1)C2
InChIInChI=1S/C22H23FN4/c1-2-3-22-25-13-19-15-27(9-8-21(19)26-22)14-16-10-18(12-24-11-16)17-4-6-20(23)7-5-17/h4-7,10-13H,2-3,8-9,14-15H2,1H3
InChIKeyPQQRKUPTMKVHPJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.19
Rot. Bonds5

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

6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912087) has the molecular formula C22H23FN4 and a molecular weight of 362.45 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912087
Molecular FormulaC22H23FN4
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCc1ncc2c(n1)CCN(Cc1cncc(-c3ccc(F)cc3)c1)C2
InChIInChI=1S/C22H23FN4/c1-2-3-22-25-13-19-15-27(9-8-21(19)26-22)14-16-10-18(12-24-11-16)17-4-6-20(23)7-5-17/h4-7,10-13H,2-3,8-9,14-15H2,1H3
InChIKeyPQQRKUPTMKVHPJ-UHFFFAOYSA-N
XLogP4.19
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-[6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24912093
6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915825
6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912090
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197
6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914775
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917163
4-[6-[(5-fluoro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24917174
4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24917147
6-[(4-chloro-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913725

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912087) is 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCc1ncc2c(n1)CCN(Cc1cncc(-c3ccc(F)cc3)c1)C2.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PQQRKUPTMKVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4/c1-2-3-22-25-13-19-15-27(9-8-21(19)26-22)14-16-10-18(12-24-11-16)17-4-6-20(23)7-5-17/h4-7,10-13H,2-3,8-9,14-15H2,1H3.
What are the key properties of 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 362.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).