3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol

C18H16N6O2 — CID 177195381

IUPAC3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1Oc1nc(-c2ccn[nH]2)cc2ncnc(N)c12
InChIInChI=1S/C18H16N6O2/c1-9-3-4-14(25)10(2)16(9)26-18-15-13(20-8-21-17(15)19)7-12(23-18)11-5-6-22-24-11/h3-8,25H,1-2H3,(H,22,24)(H2,19,20,21)
InChIKeyLFNQZFGVXVAWKL-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.11
Rot. Bonds3

About 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol

3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol (PubChem CID 177195381) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
PubChem CID177195381
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1Oc1nc(-c2ccn[nH]2)cc2ncnc(N)c12
InChIInChI=1S/C18H16N6O2/c1-9-3-4-14(25)10(2)16(9)26-18-15-13(20-8-21-17(15)19)7-12(23-18)11-5-6-22-24-11/h3-8,25H,1-2H3,(H,22,24)(H2,19,20,21)
InChIKeyLFNQZFGVXVAWKL-UHFFFAOYSA-N
XLogP3.11
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)-1,5-naphthyridin-2-amine
CID 89534322
12-(4-methoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 3830622
1-{[3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-2-ylpiperazine
CID 16189921
1-(2-methoxy-4-phenoxyphenyl)-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 57960875
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-fluorophenoxy]-1H-pyrazolo[4,5-c]pyridine
CID 74223827
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]-1H-pyrazolo[4,5-c]pyridine
CID 74223828
US10266548, Example 24-6
CID 89488589
4-[4-(4,6-dimethylpyrimidin-5-yl)phenoxy]-1H-pyrazolo[4,5-c]pyridine
CID 91899761
N-(3,5-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 71552190
N-(3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine
CID 89534139
3-(3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol
CID 89534187

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
The IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol (CID 177195381) is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol.
What is the SMILES notation for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
The canonical SMILES for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol is Cc1ccc(O)c(C)c1Oc1nc(-c2ccn[nH]2)cc2ncnc(N)c12.
What is the InChIKey of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
The InChIKey is LFNQZFGVXVAWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-9-3-4-14(25)10(2)16(9)26-18-15-13(20-8-21-17(15)19)7-12(23-18)11-5-6-22-24-11/h3-8,25H,1-2H3,(H,22,24)(H2,19,20,21).
What are the key properties of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol has a molecular weight of 348.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol is sourced from PubChem (CID 177195381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).