N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H20N8 — CID 70722090

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc(CNc2nc(-c3ccncc3)nc3c2cnn3C)c1C
InChIInChI=1S/C18H20N8/c1-4-26-12(2)14(10-22-26)9-20-17-15-11-21-25(3)18(15)24-16(23-17)13-5-7-19-8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,23,24)
InChIKeyOIVXTQBLIUDEPK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.56
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70722090) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70722090
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc(CNc2nc(-c3ccncc3)nc3c2cnn3C)c1C
InChIInChI=1S/C18H20N8/c1-4-26-12(2)14(10-22-26)9-20-17-15-11-21-25(3)18(15)24-16(23-17)13-5-7-19-8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,23,24)
InChIKeyOIVXTQBLIUDEPK-UHFFFAOYSA-N
XLogP2.56
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56894425
4-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonic acid
CID 175315839
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56882874
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70728202
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56891373
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
6-(methoxymethyl)-1-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56902916

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70722090) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1ncc(CNc2nc(-c3ccncc3)nc3c2cnn3C)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OIVXTQBLIUDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-4-26-12(2)14(10-22-26)9-20-17-15-11-21-25(3)18(15)24-16(23-17)13-5-7-19-8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,23,24).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70722090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).