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

C19H19N7O2 — CID 177195479

IUPAC3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
SMILESCNc1cnn(-c2cc3ncnc(N)c3c(Oc3c(C)ccc(O)c3C)n2)c1
InChIInChI=1S/C19H19N7O2/c1-10-4-5-14(27)11(2)17(10)28-19-16-13(22-9-23-18(16)20)6-15(25-19)26-8-12(21-3)7-24-26/h4-9,21,27H,1-3H3,(H2,20,22,23)
InChIKeyPBXAWBJVWGRKSV-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.95
Rot. Bonds4

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

3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol (PubChem CID 177195479) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
PubChem CID177195479
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
SMILESCNc1cnn(-c2cc3ncnc(N)c3c(Oc3c(C)ccc(O)c3C)n2)c1
InChIInChI=1S/C19H19N7O2/c1-10-4-5-14(27)11(2)17(10)28-19-16-13(22-9-23-18(16)20)6-15(25-19)26-8-12(21-3)7-24-26/h4-9,21,27H,1-3H3,(H2,20,22,23)
InChIKeyPBXAWBJVWGRKSV-UHFFFAOYSA-N
XLogP2.95
TPSA124.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 119025603
N6-[(2,4,6-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479414
(2-(4-(1-methyl-1H-pyrazol-3-ylamino)quinazolin-6-yloxy)pyridin-3-yl)methanol
CID 23160263
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 71558885
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534049
12-(4-methoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 3830622
12-(3,4-dimethoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 4535066
3-(2,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662582
US10266548, Example 2-53-1
CID 71554229
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)pteridin-2-yl]ethane-1,2-diamine
CID 72550097
3-[4-Amino-3-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol
CID 72694943
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]-1H-pyrazolo[4,5-c]pyridine
CID 74223828

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
The IUPAC name of 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol (CID 177195479) is 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol.
What is the SMILES notation for 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
The canonical SMILES for 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol is CNc1cnn(-c2cc3ncnc(N)c3c(Oc3c(C)ccc(O)c3C)n2)c1.
What is the InChIKey of 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
The InChIKey is PBXAWBJVWGRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-10-4-5-14(27)11(2)17(10)28-19-16-13(22-9-23-18(16)20)6-15(25-19)26-8-12(21-3)7-24-26/h4-9,21,27H,1-3H3,(H2,20,22,23).
What are the key properties of 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol?
3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol has a molecular weight of 377.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol is sourced from PubChem (CID 177195479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).