N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H22N6O — CID 16801460

IUPACN-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3C)c1
InChIInChI=1S/C18H22N6O/c1-23-17-15(12-19-23)16(20-13-7-6-8-14(11-13)25-2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,21,22)
InChIKeyOPURUIYEXHFPGZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.11
Rot. Bonds4

About N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 16801460) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID16801460
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3C)c1
InChIInChI=1S/C18H22N6O/c1-23-17-15(12-19-23)16(20-13-7-6-8-14(11-13)25-2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,21,22)
InChIKeyOPURUIYEXHFPGZ-UHFFFAOYSA-N
XLogP3.11
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 16801460) is N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OPURUIYEXHFPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-17-15(12-19-23)16(20-13-7-6-8-14(11-13)25-2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 16801460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).