3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C20H23N5O2 — CID 155538203

IUPAC3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2c(cc1-c1cnn3ccc(NCCN4CCCCC4)nc13)OCO2
InChIInChI=1S/C20H23N5O2/c1-2-8-24(9-3-1)11-7-21-19-6-10-25-20(23-19)16(13-22-25)15-4-5-17-18(12-15)27-14-26-17/h4-6,10,12-13H,1-3,7-9,11,14H2,(H,21,23)
InChIKeyMSCCKFVOIUKYFD-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.02
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155538203) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155538203
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2c(cc1-c1cnn3ccc(NCCN4CCCCC4)nc13)OCO2
InChIInChI=1S/C20H23N5O2/c1-2-8-24(9-3-1)11-7-21-19-6-10-25-20(23-19)16(13-22-25)15-4-5-17-18(12-15)27-14-26-17/h4-6,10,12-13H,1-3,7-9,11,14H2,(H,21,23)
InChIKeyMSCCKFVOIUKYFD-UHFFFAOYSA-N
XLogP3.02
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 155538203) is 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1cc2c(cc1-c1cnn3ccc(NCCN4CCCCC4)nc13)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is MSCCKFVOIUKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-8-24(9-3-1)11-7-21-19-6-10-25-20(23-19)16(13-22-25)15-4-5-17-18(12-15)27-14-26-17/h4-6,10,12-13H,1-3,7-9,11,14H2,(H,21,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 365.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155538203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).