5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H13N5O — CID 11312354

IUPAC5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1cc(CNc2cc(-c3ccoc3)nc3ccnn23)ccn1
InChIInChI=1S/C16H13N5O/c1-5-17-6-2-12(1)10-18-16-9-14(13-4-8-22-11-13)20-15-3-7-19-21(15)16/h1-9,11,18H,10H2
InChIKeyUEBCNBUMANSTPQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.00
Rot. Bonds4

About 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11312354) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11312354
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1cc(CNc2cc(-c3ccoc3)nc3ccnn23)ccn1
InChIInChI=1S/C16H13N5O/c1-5-17-6-2-12(1)10-18-16-9-14(13-4-8-22-11-13)20-15-3-7-19-21(15)16/h1-9,11,18H,10H2
InChIKeyUEBCNBUMANSTPQ-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 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 11312354) is 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is c1cc(CNc2cc(-c3ccoc3)nc3ccnn23)ccn1.
What is the InChIKey of 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UEBCNBUMANSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-5-17-6-2-12(1)10-18-16-9-14(13-4-8-22-11-13)20-15-3-7-19-21(15)16/h1-9,11,18H,10H2.
What are the key properties of 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(furan-3-yl)-N-(pyridin-4-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 5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11312354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).