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

C22H18F3N5O — CID 24912774

IUPAC6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1cn(-c3ccccc3)nc1-c1ccco1)C2
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)21-26-11-15-12-29(9-8-18(15)27-21)13-16-14-30(17-5-2-1-3-6-17)28-20(16)19-7-4-10-31-19/h1-7,10-11,14H,8-9,12-13H2
InChIKeyHJBUFEAITDVKBM-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.50
Rot. Bonds4

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

6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912774) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912774
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1cn(-c3ccccc3)nc1-c1ccco1)C2
InChIInChI=1S/C22H18F3N5O/c23-22(24,25)21-26-11-15-12-29(9-8-18(15)27-21)13-16-14-30(17-5-2-1-3-6-17)28-20(16)19-7-4-10-31-19/h1-7,10-11,14H,8-9,12-13H2
InChIKeyHJBUFEAITDVKBM-UHFFFAOYSA-N
XLogP4.50
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.50
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-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909708
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
6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944266
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
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
1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909267
2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943151
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913215
6-[(5-ethylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910044
6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909603

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912774) is 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is FC(F)(F)c1ncc2c(n1)CCN(Cc1cn(-c3ccccc3)nc1-c1ccco1)C2.
What is the InChIKey of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HJBUFEAITDVKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-22(24,25)21-26-11-15-12-29(9-8-18(15)27-21)13-16-14-30(17-5-2-1-3-6-17)28-20(16)19-7-4-10-31-19/h1-7,10-11,14H,8-9,12-13H2.
What are the key properties of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 425.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).