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

C19H15N5O2 — CID 24866033

IUPAC3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc(CNc2ccn3ncc(-c4ccc5c(c4)OCO5)c3n2)ccn1
InChIInChI=1S/C19H15N5O2/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/h1-9,11H,10,12H2,(H,21,23)
InChIKeyDJMJVMXMRFYVLC-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.13
Rot. Bonds4

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

3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 24866033) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID24866033
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc(CNc2ccn3ncc(-c4ccc5c(c4)OCO5)c3n2)ccn1
InChIInChI=1S/C19H15N5O2/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/h1-9,11H,10,12H2,(H,21,23)
InChIKeyDJMJVMXMRFYVLC-UHFFFAOYSA-N
XLogP3.13
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.13
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-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 24866033) is 3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1cc(CNc2ccn3ncc(-c4ccc5c(c4)OCO5)c3n2)ccn1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DJMJVMXMRFYVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/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/h1-9,11H,10,12H2,(H,21,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 345.36 g/mol, XLogP of 3.13, 4 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-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 24866033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).