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

C16H13N5O — CID 126475413

IUPAC3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)nc1
InChIInChI=1S/C16H13N5O/c1-2-6-17-13(3-1)9-19-15-4-7-18-16-14(10-20-21(15)16)12-5-8-22-11-12/h1-8,10-11,19H,9H2
InChIKeyJACKPWUPWVGUGS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.00
Rot. Bonds4

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

3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126475413) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126475413
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)nc1
InChIInChI=1S/C16H13N5O/c1-2-6-17-13(3-1)9-19-15-4-7-18-16-14(10-20-21(15)16)12-5-8-22-11-12/h1-8,10-11,19H,9H2
InChIKeyJACKPWUPWVGUGS-UHFFFAOYSA-N
XLogP3.00
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126475413) is 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(CNc2ccnc3c(-c4ccoc4)cnn23)nc1.
What is the InChIKey of 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JACKPWUPWVGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-6-17-13(3-1)9-19-15-4-7-18-16-14(10-20-21(15)16)12-5-8-22-11-12/h1-8,10-11,19H,9H2.
What are the key properties of 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126475413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).