5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H21N5O — CID 46953383

IUPAC5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCC(c2cc(N)n3nc(-c4ccco4)cc3n2)CC1
InChIInChI=1S/C17H21N5O/c1-2-21-7-5-12(6-8-21)13-10-16(18)22-17(19-13)11-14(20-22)15-4-3-9-23-15/h3-4,9-12H,2,5-8,18H2,1H3
InChIKeyGZAXLKMEALMSFI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.77
Rot. Bonds3

About 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46953383) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46953383
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCC(c2cc(N)n3nc(-c4ccco4)cc3n2)CC1
InChIInChI=1S/C17H21N5O/c1-2-21-7-5-12(6-8-21)13-10-16(18)22-17(19-13)11-14(20-22)15-4-3-9-23-15/h3-4,9-12H,2,5-8,18H2,1H3
InChIKeyGZAXLKMEALMSFI-UHFFFAOYSA-N
XLogP2.77
TPSA72.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 46953383) is 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCN1CCC(c2cc(N)n3nc(-c4ccco4)cc3n2)CC1.
What is the InChIKey of 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GZAXLKMEALMSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-21-7-5-12(6-8-21)13-10-16(18)22-17(19-13)11-14(20-22)15-4-3-9-23-15/h3-4,9-12H,2,5-8,18H2,1H3.
What are the key properties of 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46953383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).