N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H24N6 — CID 137249616

IUPACN-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1c(-c1[nH]c3ccccc3c1C)nn2CCC(C)C
InChIInChI=1S/C20H24N6/c1-12(2)9-10-26-20-16(19(21-4)22-11-23-20)18(25-26)17-13(3)14-7-5-6-8-15(14)24-17/h5-8,11-12,24H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyYFVJCOKTVZVARK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.37
Rot. Bonds5

About N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 137249616) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID137249616
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1c(-c1[nH]c3ccccc3c1C)nn2CCC(C)C
InChIInChI=1S/C20H24N6/c1-12(2)9-10-26-20-16(19(21-4)22-11-23-20)18(25-26)17-13(3)14-7-5-6-8-15(14)24-17/h5-8,11-12,24H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyYFVJCOKTVZVARK-UHFFFAOYSA-N
XLogP4.37
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]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

Related Compounds

1-tert-butyl-3-[6-[(dimethylamino)methyl]-3-methyl-1H-indol-2-yl]-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 137249602
N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 944182
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 142359850
N-methyl-11H-indolo[3,2-c]quinolin-6-amine
CID 68670230
N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine
CID 58088428
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 2026875
N-pentyl-5H-pyrimido[5,4-b]indol-4-amine
CID 2018302
2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-ethyl-3-methyl-1H-indole-6-carboxamide
CID 137253774
methyl 2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1H-indole-6-carboxylate
CID 137253896
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115326743

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 137249616) is N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CNc1ncnc2c1c(-c1[nH]c3ccccc3c1C)nn2CCC(C)C.
What is the InChIKey of N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YFVJCOKTVZVARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-12(2)9-10-26-20-16(19(21-4)22-11-23-20)18(25-26)17-13(3)14-7-5-6-8-15(14)24-17/h5-8,11-12,24H,9-10H2,1-4H3,(H,21,22,23).
What are the key properties of N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylbutyl)-3-(3-methyl-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 137249616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).