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

C23H19ClN4O2 — CID 135942209

IUPAC6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1ccc(-c3cccc(Cl)c3)o1)CC2
InChIInChI=1S/C23H19ClN4O2/c24-17-5-1-3-15(11-17)21-7-6-18(30-21)13-28-10-8-20-19(14-28)23(29)27-22(26-20)16-4-2-9-25-12-16/h1-7,9,11-12H,8,10,13-14H2,(H,26,27,29)
InChIKeyHOPWFOVNRRWYQS-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.30
Rot. Bonds4

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

6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942209) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135942209
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1ccc(-c3cccc(Cl)c3)o1)CC2
InChIInChI=1S/C23H19ClN4O2/c24-17-5-1-3-15(11-17)21-7-6-18(30-21)13-28-10-8-20-19(14-28)23(29)27-22(26-20)16-4-2-9-25-12-16/h1-7,9,11-12H,8,10,13-14H2,(H,26,27,29)
InChIKeyHOPWFOVNRRWYQS-UHFFFAOYSA-N
XLogP4.30
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-ethylfuran-2-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861579
6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942204
2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942353
6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946187
6-[(3-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919112
6-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942288
6-[(2-bromophenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917395
2-pyridin-3-yl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916575
6-[(5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947340
6-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942598
6-[(2,3-dimethylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916755

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942209) is 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccnc2)nc2c1CN(Cc1ccc(-c3cccc(Cl)c3)o1)CC2.
What is the InChIKey of 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HOPWFOVNRRWYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-17-5-1-3-15(11-17)21-7-6-18(30-21)13-28-10-8-20-19(14-28)23(29)27-22(26-20)16-4-2-9-25-12-16/h1-7,9,11-12H,8,10,13-14H2,(H,26,27,29).
What are the key properties of 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 418.88 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).