3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C19H21N5O2 — CID 155546585

IUPAC3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2c(cc1-c1cnn3ccc(NCC4CCNCC4)nc13)OCO2
InChIInChI=1S/C19H21N5O2/c1-2-16-17(26-12-25-16)9-14(1)15-11-22-24-8-5-18(23-19(15)24)21-10-13-3-6-20-7-4-13/h1-2,5,8-9,11,13,20H,3-4,6-7,10,12H2,(H,21,23)
InChIKeyODGAECBTXLDUGZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.54
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155546585) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155546585
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2c(cc1-c1cnn3ccc(NCC4CCNCC4)nc13)OCO2
InChIInChI=1S/C19H21N5O2/c1-2-16-17(26-12-25-16)9-14(1)15-11-22-24-8-5-18(23-19(15)24)21-10-13-3-6-20-7-4-13/h1-2,5,8-9,11,13,20H,3-4,6-7,10,12H2,(H,21,23)
InChIKeyODGAECBTXLDUGZ-UHFFFAOYSA-N
XLogP2.54
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 155546585) is 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1cc2c(cc1-c1cnn3ccc(NCC4CCNCC4)nc13)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ODGAECBTXLDUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-16-17(26-12-25-16)9-14(1)15-11-22-24-8-5-18(23-19(15)24)21-10-13-3-6-20-7-4-13/h1-2,5,8-9,11,13,20H,3-4,6-7,10,12H2,(H,21,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 351.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155546585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).