5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid

C19H17N3O3 — CID 24909103

IUPAC5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCc3nc(-c4ccccc4)ncc3C2)o1
InChIInChI=1S/C19H17N3O3/c23-19(24)17-7-6-15(25-17)12-22-9-8-16-14(11-22)10-20-18(21-16)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,24)
InChIKeyHMECFVAMBNFCDI-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.99
Rot. Bonds4

About 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid

5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid (PubChem CID 24909103) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
PubChem CID24909103
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCc3nc(-c4ccccc4)ncc3C2)o1
InChIInChI=1S/C19H17N3O3/c23-19(24)17-7-6-15(25-17)12-22-9-8-16-14(11-22)10-20-18(21-16)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,24)
InChIKeyHMECFVAMBNFCDI-UHFFFAOYSA-N
XLogP2.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

[5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908641
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
CID 24909111
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910108
5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-sulfonic acid
CID 24908563
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
[5-[[2-(4-aminophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-yl]methanol
CID 24908652
6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916450
6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911839
2-[[5-[(2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methyl]isoindole-1,3-dione
CID 24912275
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
5-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 135861438
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915736

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid (CID 24909103) is 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN2CCc3nc(-c4ccccc4)ncc3C2)o1.
What is the InChIKey of 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?
The InChIKey is HMECFVAMBNFCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(24)17-7-6-15(25-17)12-22-9-8-16-14(11-22)10-20-18(21-16)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,24).
What are the key properties of 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid?
5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 24909103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).