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

C27H23N5O4 — CID 44585507

IUPAC2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1
InChIInChI=1S/C27H23N5O4/c33-26(34)15-28-13-21-10-11-25(36-21)23-12-22-24(14-29-23)30-17-31-27(22)32-19-6-8-20(9-7-19)35-16-18-4-2-1-3-5-18/h1-12,14,17,28H,13,15-16H2,(H,33,34)(H,30,31,32)
InChIKeyRWQQYKXBUWKJFM-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.78
Rot. Bonds10

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

2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid (PubChem CID 44585507) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid
PubChem CID44585507
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1
InChIInChI=1S/C27H23N5O4/c33-26(34)15-28-13-21-10-11-25(36-21)23-12-22-24(14-29-23)30-17-31-27(22)32-19-6-8-20(9-7-19)35-16-18-4-2-1-3-5-18/h1-12,14,17,28H,13,15-16H2,(H,33,34)(H,30,31,32)
InChIKeyRWQQYKXBUWKJFM-UHFFFAOYSA-N
XLogP4.78
TPSA122.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid
CID 22112894
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
6-[3-(1,3-dioxolan-2-yl)phenyl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 22725131
N-(2-methylsulfonylethyl)-5-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]furan-2-carboxamide
CID 54184667
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
5-[4-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]pyrido[3,4-d]pyrimidin-6-yl]furan-2-carbaldehyde
CID 87717624
6-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 67566153
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid?
The IUPAC name of 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid (CID 44585507) is 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid is O=C(O)CNCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1.
What is the InChIKey of 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid?
The InChIKey is RWQQYKXBUWKJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c33-26(34)15-28-13-21-10-11-25(36-21)23-12-22-24(14-29-23)30-17-31-27(22)32-19-6-8-20(9-7-19)35-16-18-4-2-1-3-5-18/h1-12,14,17,28H,13,15-16H2,(H,33,34)(H,30,31,32).
What are the key properties of 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid?
2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid has a molecular weight of 481.51 g/mol, XLogP of 4.78, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid is sourced from PubChem (CID 44585507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).