3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C20H20N6 — CID 122688235

IUPAC3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)ncnc12
InChIInChI=1S/C20H20N6/c1-13(2)17-18-19(26-25-17)20(24-12-23-18)22-11-14-6-8-15(9-7-14)16-5-3-4-10-21-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKJLHEVSAJFFFGP-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.15
Rot. Bonds5

About 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine

3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 122688235) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID122688235
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)ncnc12
InChIInChI=1S/C20H20N6/c1-13(2)17-18-19(26-25-17)20(24-12-23-18)22-11-14-6-8-15(9-7-14)16-5-3-4-10-21-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKJLHEVSAJFFFGP-UHFFFAOYSA-N
XLogP4.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(methylamino)ethylsulfanyl]-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155514044
5-(2-aminocyclohexyl)sulfanyl-3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 155553824
5-chloro-N-[(4-phenylphenyl)methyl]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 177241957
3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 76847213
N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
CID 159589094
N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 52951989
ethane;2-(4-propylphenyl)pyridine
CID 158701503
2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanol
CID 70219818
2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
CID 110478301
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
ethane;2-[[9-ethyl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]-3-methylbutan-1-ol
CID 143811163
1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889160

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 122688235) is 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine is CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)ncnc12.
What is the InChIKey of 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is KJLHEVSAJFFFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-13(2)17-18-19(26-25-17)20(24-12-23-18)22-11-14-6-8-15(9-7-14)16-5-3-4-10-21-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 344.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 122688235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).