6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H18F2N4O2 — CID 135945950

IUPAC6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2c1CN(Cc1ccc(-c3cc(F)ccc3F)nc1)CC2
InChIInChI=1S/C23H18F2N4O2/c24-15-4-5-18(25)16(10-15)19-6-3-14(11-26-19)12-29-8-7-20-17(13-29)23(30)28-22(27-20)21-2-1-9-31-21/h1-6,9-11H,7-8,12-13H2,(H,27,28,30)
InChIKeyYCUMUZVYTJXZRJ-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.93
Rot. Bonds4

About 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945950) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945950
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2c1CN(Cc1ccc(-c3cc(F)ccc3F)nc1)CC2
InChIInChI=1S/C23H18F2N4O2/c24-15-4-5-18(25)16(10-15)19-6-3-14(11-26-19)12-29-8-7-20-17(13-29)23(30)28-22(27-20)21-2-1-9-31-21/h1-6,9-11H,7-8,12-13H2,(H,27,28,30)
InChIKeyYCUMUZVYTJXZRJ-UHFFFAOYSA-N
XLogP3.93
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[6-(furan-2-yl)-3-pyridinyl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945357
6-[(2,6-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917298
2-(furan-2-yl)-6-[(4-methylsulfanylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920031
6-[[4-(difluoromethoxy)phenyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919533
6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945979
2-(furan-2-yl)-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920111
6-[(3,4-diethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918296
2-(furan-2-yl)-6-[(4-piperidin-1-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919254
2-cyclohexyl-6-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945355
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917818
6-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917838
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945657

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945950) is 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccco2)nc2c1CN(Cc1ccc(-c3cc(F)ccc3F)nc1)CC2.
What is the InChIKey of 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YCUMUZVYTJXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-15-4-5-18(25)16(10-15)19-6-3-14(11-26-19)12-29-8-7-20-17(13-29)23(30)28-22(27-20)21-2-1-9-31-21/h1-6,9-11H,7-8,12-13H2,(H,27,28,30).
What are the key properties of 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 420.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).