1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

C17H20N6 — CID 7162562

IUPAC1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCCCC3)nc(Nc3ccccc3)nc21
InChIInChI=1S/C17H20N6/c1-22-15-14(12-18-22)16(23-10-6-3-7-11-23)21-17(20-15)19-13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyNOVVMKBTXAQRER-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.10
Rot. Bonds3

About 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 7162562) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID7162562
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCCCC3)nc(Nc3ccccc3)nc21
InChIInChI=1S/C17H20N6/c1-22-15-14(12-18-22)16(23-10-6-3-7-11-23)21-17(20-15)19-13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyNOVVMKBTXAQRER-UHFFFAOYSA-N
XLogP3.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 7162562) is 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cn1ncc2c(N3CCCCC3)nc(Nc3ccccc3)nc21.
What is the InChIKey of 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is NOVVMKBTXAQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-22-15-14(12-18-22)16(23-10-6-3-7-11-23)21-17(20-15)19-13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 308.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 7162562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).