1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C20H21N7 — CID 56891373

IUPAC1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(Nc1nc(-c2ccncc2)nc2c1cnn2C)c1cc(C)ccn1
InChIInChI=1S/C20H21N7/c1-4-16(17-11-13(2)5-10-22-17)24-19-15-12-23-27(3)20(15)26-18(25-19)14-6-8-21-9-7-14/h5-12,16H,4H2,1-3H3,(H,24,25,26)
InChIKeySVXBMEJLKKOBBQ-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.69
Rot. Bonds5

About 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56891373) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56891373
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(Nc1nc(-c2ccncc2)nc2c1cnn2C)c1cc(C)ccn1
InChIInChI=1S/C20H21N7/c1-4-16(17-11-13(2)5-10-22-17)24-19-15-12-23-27(3)20(15)26-18(25-19)14-6-8-21-9-7-14/h5-12,16H,4H2,1-3H3,(H,24,25,26)
InChIKeySVXBMEJLKKOBBQ-UHFFFAOYSA-N
XLogP3.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70712455
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707102
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95723480
1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70726617
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70722090
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95896253
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70748206
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70728202

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56891373) is 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(Nc1nc(-c2ccncc2)nc2c1cnn2C)c1cc(C)ccn1.
What is the InChIKey of 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SVXBMEJLKKOBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-4-16(17-11-13(2)5-10-22-17)24-19-15-12-23-27(3)20(15)26-18(25-19)14-6-8-21-9-7-14/h5-12,16H,4H2,1-3H3,(H,24,25,26).
What are the key properties of 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 359.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56891373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).