2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

C26H21N9O — CID 58158205

IUPAC2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(Cn2nc(-c3cccnc3)c3c(N)ncnc32)nc2nccc(C)c2c1=O
InChIInChI=1S/C26H21N9O/c1-15-6-3-4-8-18(15)35-19(32-24-20(26(35)36)16(2)9-11-29-24)13-34-25-21(23(27)30-14-31-25)22(33-34)17-7-5-10-28-12-17/h3-12,14H,13H2,1-2H3,(H2,27,30,31)
InChIKeyFSUSNQOWHHDFJK-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.23
Rot. Bonds4

About 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 58158205) has the molecular formula C26H21N9O and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID58158205
Molecular FormulaC26H21N9O
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1-n1c(Cn2nc(-c3cccnc3)c3c(N)ncnc32)nc2nccc(C)c2c1=O
InChIInChI=1S/C26H21N9O/c1-15-6-3-4-8-18(15)35-19(32-24-20(26(35)36)16(2)9-11-29-24)13-34-25-21(23(27)30-14-31-25)22(33-34)17-7-5-10-28-12-17/h3-12,14H,13H2,1-2H3,(H2,27,30,31)
InChIKeyFSUSNQOWHHDFJK-UHFFFAOYSA-N
XLogP3.23
TPSA130.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 58158205) is 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is Cc1ccccc1-n1c(Cn2nc(-c3cccnc3)c3c(N)ncnc32)nc2nccc(C)c2c1=O.
What is the InChIKey of 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FSUSNQOWHHDFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N9O/c1-15-6-3-4-8-18(15)35-19(32-24-20(26(35)36)16(2)9-11-29-24)13-34-25-21(23(27)30-14-31-25)22(33-34)17-7-5-10-28-12-17/h3-12,14H,13H2,1-2H3,(H2,27,30,31).
What are the key properties of 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 475.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 58158205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).