N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

C26H30N6O — CID 142853298

IUPACN-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
SMILESC=CCc1ccccc1Cn1nc(-c2nc(C)cc(NCCC(C)OC)n2)c2cccnc21
InChIInChI=1S/C26H30N6O/c1-5-9-20-10-6-7-11-21(20)17-32-26-22(12-8-14-28-26)24(31-32)25-29-18(2)16-23(30-25)27-15-13-19(3)33-4/h5-8,10-12,14,16,19H,1,9,13,15,17H2,2-4H3,(H,27,29,30)
InChIKeyPTICUMKBAOCELA-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.81
Rot. Bonds10

About N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine

N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 142853298) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
PubChem CID142853298
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC NameN-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
SMILESC=CCc1ccccc1Cn1nc(-c2nc(C)cc(NCCC(C)OC)n2)c2cccnc21
InChIInChI=1S/C26H30N6O/c1-5-9-20-10-6-7-11-21(20)17-32-26-22(12-8-14-28-26)24(31-32)25-29-18(2)16-23(30-25)27-15-13-19(3)33-4/h5-8,10-12,14,16,19H,1,9,13,15,17H2,2-4H3,(H,27,29,30)
InChIKeyPTICUMKBAOCELA-UHFFFAOYSA-N
XLogP4.81
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine (CID 142853298) is N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is C=CCc1ccccc1Cn1nc(-c2nc(C)cc(NCCC(C)OC)n2)c2cccnc21.
What is the InChIKey of N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is PTICUMKBAOCELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-5-9-20-10-6-7-11-21(20)17-32-26-22(12-8-14-28-26)24(31-32)25-29-18(2)16-23(30-25)27-15-13-19(3)33-4/h5-8,10-12,14,16,19H,1,9,13,15,17H2,2-4H3,(H,27,29,30).
What are the key properties of N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine?
N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 442.57 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutyl)-6-methyl-2-[1-[(2-prop-2-enylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 142853298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).