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

C21H16F5N3 — CID 24928267

IUPAC6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)c1F
InChIInChI=1S/C21H16F5N3/c22-17-3-1-2-14(19(17)23)11-29-9-8-18-15(12-29)10-27-20(28-18)13-4-6-16(7-5-13)21(24,25)26/h1-7,10H,8-9,11-12H2
InChIKeyALUHCEXZYRDKSN-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.00
Rot. Bonds3

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

6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928267) has the molecular formula C21H16F5N3 and a molecular weight of 405.37 g/mol. Its IUPAC name is 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24928267
Molecular FormulaC21H16F5N3
Molecular Weight405.37 g/mol
Exact Mass405.13
IUPAC Name6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)c1F
InChIInChI=1S/C21H16F5N3/c22-17-3-1-2-14(19(17)23)11-29-9-8-18-15(12-29)10-27-20(28-18)13-4-6-16(7-5-13)21(24,25)26/h1-7,10H,8-9,11-12H2
InChIKeyALUHCEXZYRDKSN-UHFFFAOYSA-N
XLogP5.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929443
6-[(2-fluoro-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913102
2-chloro-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]phenol
CID 24929128
2-(4-chlorophenyl)-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929571
6-[(2,3-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928309
7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930273
6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338
6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913375
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912304
6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928330
6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911947
6-[(5-fluoro-1H-indol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909157

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928267) is 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cccc(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)c1F.
What is the InChIKey of 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ALUHCEXZYRDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N3/c22-17-3-1-2-14(19(17)23)11-29-9-8-18-15(12-29)10-27-20(28-18)13-4-6-16(7-5-13)21(24,25)26/h1-7,10H,8-9,11-12H2.
What are the key properties of 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 405.37 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).