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

C22H20F2N4 — CID 24914549

IUPAC2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(F)c(-c2ccc(CN3CCc4nc(C5CC5)ncc4C3)cn2)c1
InChIInChI=1S/C22H20F2N4/c23-17-4-5-19(24)18(9-17)21-6-1-14(10-25-21)12-28-8-7-20-16(13-28)11-26-22(27-20)15-2-3-15/h1,4-6,9-11,15H,2-3,7-8,12-13H2
InChIKeyCKOBJOFPYREWRL-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.25
Rot. Bonds4

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

2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914549) has the molecular formula C22H20F2N4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914549
Molecular FormulaC22H20F2N4
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(F)c(-c2ccc(CN3CCc4nc(C5CC5)ncc4C3)cn2)c1
InChIInChI=1S/C22H20F2N4/c23-17-4-5-19(24)18(9-17)21-6-1-14(10-25-21)12-28-8-7-20-16(13-28)11-26-22(27-20)15-2-3-15/h1,4-6,9-11,15H,2-3,7-8,12-13H2
InChIKeyCKOBJOFPYREWRL-UHFFFAOYSA-N
XLogP4.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914360
6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914581
2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914573
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937
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
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole
CID 24915956
6-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914182
2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915578
2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914300
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914549) is 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc(F)c(-c2ccc(CN3CCc4nc(C5CC5)ncc4C3)cn2)c1.
What is the InChIKey of 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CKOBJOFPYREWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4/c23-17-4-5-19(24)18(9-17)21-6-1-14(10-25-21)12-28-8-7-20-16(13-28)11-26-22(27-20)15-2-3-15/h1,4-6,9-11,15H,2-3,7-8,12-13H2.
What are the key properties of 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 378.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).