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

C25H23N7O — CID 155382208

IUPAC2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine
SMILESCc1ccccc1COc1nc2c(cc1-c1nc(N)cc(N)n1)c(C)nn2-c1ccccc1
InChIInChI=1S/C25H23N7O/c1-15-8-6-7-9-17(15)14-33-25-20(23-28-21(26)13-22(27)29-23)12-19-16(2)31-32(24(19)30-25)18-10-4-3-5-11-18/h3-13H,14H2,1-2H3,(H4,26,27,28,29)
InChIKeyYFRPGDJFKNHIHD-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.24
Rot. Bonds5

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

2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine (PubChem CID 155382208) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine
PubChem CID155382208
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine
SMILESCc1ccccc1COc1nc2c(cc1-c1nc(N)cc(N)n1)c(C)nn2-c1ccccc1
InChIInChI=1S/C25H23N7O/c1-15-8-6-7-9-17(15)14-33-25-20(23-28-21(26)13-22(27)29-23)12-19-16(2)31-32(24(19)30-25)18-10-4-3-5-11-18/h3-13H,14H2,1-2H3,(H4,26,27,28,29)
InChIKeyYFRPGDJFKNHIHD-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine (CID 155382208) is 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine is Cc1ccccc1COc1nc2c(cc1-c1nc(N)cc(N)n1)c(C)nn2-c1ccccc1.
What is the InChIKey of 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
The InChIKey is YFRPGDJFKNHIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-15-8-6-7-9-17(15)14-33-25-20(23-28-21(26)13-22(27)29-23)12-19-16(2)31-32(24(19)30-25)18-10-4-3-5-11-18/h3-13H,14H2,1-2H3,(H4,26,27,28,29).
What are the key properties of 2-[3-methyl-6-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine?
2-[3-methyl-6-[(2-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-[(2-methylphenyl)methoxy]-1-phenylpyrazolo[3,4-b]pyridin-5-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 155382208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).