6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C29H24F3N5O — CID 24911611

IUPAC6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)o1
InChIInChI=1S/C29H24F3N5O/c1-19-7-12-26(38-19)27-22(18-37(35-27)24-5-3-2-4-6-24)17-36-14-13-25-21(16-36)15-33-28(34-25)20-8-10-23(11-9-20)29(30,31)32/h2-12,15,18H,13-14,16-17H2,1H3
InChIKeyMEALCYAKWFTISW-UHFFFAOYSA-N
MW515.54 g/mol
LogP6.47
Rot. Bonds5

About 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911611) has the molecular formula C29H24F3N5O and a molecular weight of 515.54 g/mol. Its IUPAC name is 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911611
Molecular FormulaC29H24F3N5O
Molecular Weight515.54 g/mol
Exact Mass515.19
IUPAC Name6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)o1
InChIInChI=1S/C29H24F3N5O/c1-19-7-12-26(38-19)27-22(18-37(35-27)24-5-3-2-4-6-24)17-36-14-13-25-21(16-36)15-33-28(34-25)20-8-10-23(11-9-20)29(30,31)32/h2-12,15,18H,13-14,16-17H2,1H3
InChIKeyMEALCYAKWFTISW-UHFFFAOYSA-N
XLogP6.47
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.54
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911597
6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911600
6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912774
6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928267
6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909700
6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913375
6-[(2-fluoro-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913102
6-[(2,3-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928309
6-[(2-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929443
7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930273
6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928330
6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911611) is 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ncc3C2)o1.
What is the InChIKey of 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MEALCYAKWFTISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O/c1-19-7-12-26(38-19)27-22(18-37(35-27)24-5-3-2-4-6-24)17-36-14-13-25-21(16-36)15-33-28(34-25)20-8-10-23(11-9-20)29(30,31)32/h2-12,15,18H,13-14,16-17H2,1H3.
What are the key properties of 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 515.54 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).