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

C26H20ClF3N4 — CID 24914110

IUPAC6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccccc4Cl)nc2)C3)cc1
InChIInChI=1S/C26H20ClF3N4/c27-22-4-2-1-3-21(22)24-10-5-17(13-31-24)15-34-12-11-23-19(16-34)14-32-25(33-23)18-6-8-20(9-7-18)26(28,29)30/h1-10,13-14H,11-12,15-16H2
InChIKeyWLAWKHWOVFWQRU-UHFFFAOYSA-N
MW480.92 g/mol
LogP6.44
Rot. Bonds4

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

6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914110) has the molecular formula C26H20ClF3N4 and a molecular weight of 480.92 g/mol. Its IUPAC name is 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914110
Molecular FormulaC26H20ClF3N4
Molecular Weight480.92 g/mol
Exact Mass480.13
IUPAC Name6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccccc4Cl)nc2)C3)cc1
InChIInChI=1S/C26H20ClF3N4/c27-22-4-2-1-3-21(22)24-10-5-17(13-31-24)15-34-12-11-23-19(16-34)14-32-25(33-23)18-6-8-20(9-7-18)26(28,29)30/h1-10,13-14H,11-12,15-16H2
InChIKeyWLAWKHWOVFWQRU-UHFFFAOYSA-N
XLogP6.44
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.92
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914572
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914101
6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915307
6-[[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914383
2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913972
6-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914182
4-[6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24913983
6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913995
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917574
2-chloro-3-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]phenol
CID 24929128
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914581

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914110) is 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ccc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccccc4Cl)nc2)C3)cc1.
What is the InChIKey of 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WLAWKHWOVFWQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N4/c27-22-4-2-1-3-21(22)24-10-5-17(13-31-24)15-34-12-11-23-19(16-34)14-32-25(33-23)18-6-8-20(9-7-18)26(28,29)30/h1-10,13-14H,11-12,15-16H2.
What are the key properties of 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 480.92 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).