2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine

C25H23N7O — CID 155367170

IUPAC2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine
SMILESCc1cccc(COc2nc3c(cc2-c2nc(N)cc(N)n2)c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C25H23N7O/c1-15-7-6-8-17(11-15)14-33-25-20(23-28-21(26)13-22(27)29-23)12-19-16(2)31-32(24(19)30-25)18-9-4-3-5-10-18/h3-13H,14H2,1-2H3,(H4,26,27,28,29)
InChIKeyKQLXFOZUHPJJJU-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.24
Rot. Bonds5

About 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine

2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine (PubChem CID 155367170) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine
PubChem CID155367170
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine
SMILESCc1cccc(COc2nc3c(cc2-c2nc(N)cc(N)n2)c(C)nn3-c2ccccc2)c1
InChIInChI=1S/C25H23N7O/c1-15-7-6-8-17(11-15)14-33-25-20(23-28-21(26)13-22(27)29-23)12-19-16(2)31-32(24(19)30-25)18-9-4-3-5-10-18/h3-13H,14H2,1-2H3,(H4,26,27,28,29)
InChIKeyKQLXFOZUHPJJJU-UHFFFAOYSA-N
XLogP4.24
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Pexacerfont
CID 9884366
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
1-{4-Amino-3-[2-(Cyclopropyloxy)quinolin-6-Yl]-1h-Pyrazolo[3,4-D]pyrimidin-1-Yl}-2-Methylpropan-2-Ol
CID 77003908
6-(6-Methylpyridin-2-yl)methyloxy-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine
CID 11462750
Pyrazolo[1,5-a]-1,3,5-triazine, 13-14
CID 42618220
Pyrazolo[1,5-a]-1,3,5-triazine, 13-17
CID 42618222
Pyrazolo[1,5-a]-1,3,5-triazine, 13-18
CID 42618223
Pyrazolo[1,5-a]-1,3,5-triazine, 13-19
CID 42618224
Pyrazolo[1,5-a]-1,3,5-triazine, 13-20
CID 42618225
Pyrazolo[1,5-a]-1,3,5-triazine, 13-21
CID 42618226
Pyrazolo[1,5-a]-1,3,5-triazine, 13-26
CID 42618231

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine (CID 155367170) is 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine is Cc1cccc(COc2nc3c(cc2-c2nc(N)cc(N)n2)c(C)nn3-c2ccccc2)c1.
What is the InChIKey of 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
The InChIKey is KQLXFOZUHPJJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-15-7-6-8-17(11-15)14-33-25-20(23-28-21(26)13-22(27)29-23)12-19-16(2)31-32(24(19)30-25)18-9-4-3-5-10-18/h3-13H,14H2,1-2H3,(H4,26,27,28,29).
What are the key properties of 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine has a molecular weight of 437.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-[(3-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 155367170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).