5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C21H34N6O — CID 166594736

IUPAC5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCC3CCCN3C)cc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C21H34N6O/c1-15(2)18-14-23-27-19(22-13-16-6-5-9-26(16)4)12-20(24-21(18)27)28-17-7-10-25(3)11-8-17/h12,14-17,22H,5-11,13H2,1-4H3
InChIKeyAZQXMHJPBLALOY-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.83
Rot. Bonds6

About 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 166594736) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID166594736
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC Name5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NCC3CCCN3C)cc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C21H34N6O/c1-15(2)18-14-23-27-19(22-13-16-6-5-9-26(16)4)12-20(24-21(18)27)28-17-7-10-25(3)11-8-17/h12,14-17,22H,5-11,13H2,1-4H3
InChIKeyAZQXMHJPBLALOY-UHFFFAOYSA-N
XLogP2.83
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 166594736) is 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NCC3CCCN3C)cc(OC3CCN(C)CC3)nc12.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AZQXMHJPBLALOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-15(2)18-14-23-27-19(22-13-16-6-5-9-26(16)4)12-20(24-21(18)27)28-17-7-10-25(3)11-8-17/h12,14-17,22H,5-11,13H2,1-4H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 386.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)oxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 166594736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).