3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H17N5O2 — CID 68782181

IUPAC3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CCNc2ccnc3c(-c4ccc5c(c4)OCO5)cnn23)nc1
InChIInChI=1S/C20H17N5O2/c1-2-8-21-15(3-1)6-9-22-19-7-10-23-20-16(12-24-25(19)20)14-4-5-17-18(11-14)27-13-26-17/h1-5,7-8,10-12,22H,6,9,13H2
InChIKeyAVNZHXUSKNPQOT-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.17
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68782181) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID68782181
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CCNc2ccnc3c(-c4ccc5c(c4)OCO5)cnn23)nc1
InChIInChI=1S/C20H17N5O2/c1-2-8-21-15(3-1)6-9-22-19-7-10-23-20-16(12-24-25(19)20)14-4-5-17-18(11-14)27-13-26-17/h1-5,7-8,10-12,22H,6,9,13H2
InChIKeyAVNZHXUSKNPQOT-UHFFFAOYSA-N
XLogP3.17
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.17
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-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 68782181) is 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(CCNc2ccnc3c(-c4ccc5c(c4)OCO5)cnn23)nc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AVNZHXUSKNPQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-8-21-15(3-1)6-9-22-19-7-10-23-20-16(12-24-25(19)20)14-4-5-17-18(11-14)27-13-26-17/h1-5,7-8,10-12,22H,6,9,13H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1,3-benzodioxol-5-yl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 359.39 g/mol, XLogP of 3.17, 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-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68782181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).