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

C25H20N4O3 — CID 22011954

IUPAC[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1
InChIInChI=1S/C25H20N4O3/c30-14-20-10-11-24(32-20)22-12-21-23(13-26-22)27-16-28-25(21)29-18-6-8-19(9-7-18)31-15-17-4-2-1-3-5-17/h1-13,16,30H,14-15H2,(H,27,28,29)
InChIKeyXKQOCHOBKQOARA-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.10
Rot. Bonds7

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

[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol (PubChem CID 22011954) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol
PubChem CID22011954
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1
InChIInChI=1S/C25H20N4O3/c30-14-20-10-11-24(32-20)22-12-21-23(13-26-22)27-16-28-25(21)29-18-6-8-19(9-7-18)31-15-17-4-2-1-3-5-17/h1-13,16,30H,14-15H2,(H,27,28,29)
InChIKeyXKQOCHOBKQOARA-UHFFFAOYSA-N
XLogP5.10
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5-(4-(((5-Methylfuran-2-yl)methyl)amino)quinazolin-6-yl)furan-2-yl)methanol
CID 44968231
Las-38096
CID 11716665
6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 10075664
4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine
CID 11565927
4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine
CID 11638790
4''-(2-furyl)-N-pyrimidin-5-yl-4,5''-bipyrimidin-2''-amine
CID 11659696
{5-[4-(4-Morpholin-4-yl-phenylamino)-quinazolin-6-yl]-furan-2-yl}-methanol
CID 15956160
6-[5-[(3-methylsulfonylpropylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 22011960
N-(4-(benzyloxy)phenyl)-6-(5-((4-methylpiperazin-1-yl)methyl)furan-2-yl)quinazolin-4-amine
CID 22609787
N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 44531688
(4-Benzyloxy-phenyl)-(6-(5-(pyridin-3-ylaminomethyl)-furan-2-yl)-pyrido[3,4-d]pyrimidin-4-yl)-amine
CID 44531689
2-((5-(4-(4-(Benzyloxy)phenylamino)pyrido[3,4-d]pyrimidin-6-yl)furan-2-yl)methylamino)acetic acid
CID 44585507

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol (CID 22011954) is [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol is OCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1.
What is the InChIKey of [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
The InChIKey is XKQOCHOBKQOARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-14-20-10-11-24(32-20)22-12-21-23(13-26-22)27-16-28-25(21)29-18-6-8-19(9-7-18)31-15-17-4-2-1-3-5-17/h1-13,16,30H,14-15H2,(H,27,28,29).
What are the key properties of [5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol has a molecular weight of 424.46 g/mol, XLogP of 5.10, 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-yl]methanol is sourced from PubChem (CID 22011954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).