5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid

C25H18N4O4 — CID 22112894

IUPAC5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1
InChIInChI=1S/C25H18N4O4/c30-25(31)23-11-10-22(33-23)20-12-19-21(13-26-20)27-15-28-24(19)29-17-6-8-18(9-7-17)32-14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,30,31)(H,27,28,29)
InChIKeyMMAKHIKVWNLBHZ-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.31
Rot. Bonds7

About 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid

5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid (PubChem CID 22112894) has the molecular formula C25H18N4O4 and a molecular weight of 438.44 g/mol. Its IUPAC name is 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid
PubChem CID22112894
Molecular FormulaC25H18N4O4
Molecular Weight438.44 g/mol
Exact Mass438.13
IUPAC Name5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1
InChIInChI=1S/C25H18N4O4/c30-25(31)23-11-10-22(33-23)20-12-19-21(13-26-20)27-15-28-24(19)29-17-6-8-18(9-7-17)32-14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,30,31)(H,27,28,29)
InChIKeyMMAKHIKVWNLBHZ-UHFFFAOYSA-N
XLogP5.31
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid
CID 44585507
6-chloro-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carbaldehyde
CID 157169301
[4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol
CID 70226943
N-(2-methylsulfonylethyl)-5-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]furan-2-carboxamide
CID 54184667
6-[3-(1,3-dioxolan-2-yl)phenyl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 22725131
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
6-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 67566153
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
4-(4-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 177257041
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid (CID 22112894) is 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1.
What is the InChIKey of 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid?
The InChIKey is MMAKHIKVWNLBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O4/c30-25(31)23-11-10-22(33-23)20-12-19-21(13-26-20)27-15-28-24(19)29-17-6-8-18(9-7-17)32-14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,30,31)(H,27,28,29).
What are the key properties of 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid?
5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid has a molecular weight of 438.44 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid is sourced from PubChem (CID 22112894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).