2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine

C16H16N6O — CID 155899654

IUPAC2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1coc(-c2cc3nc(NCCCn4ccnc4)ccn3n2)c1
InChIInChI=1S/C16H16N6O/c1-3-14(23-10-1)13-11-16-19-15(4-8-22(16)20-13)18-5-2-7-21-9-6-17-12-21/h1,3-4,6,8-12H,2,5,7H2,(H,18,19)
InChIKeyIXBDKJBRKSEVAL-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.69
Rot. Bonds6

About 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155899654) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155899654
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1coc(-c2cc3nc(NCCCn4ccnc4)ccn3n2)c1
InChIInChI=1S/C16H16N6O/c1-3-14(23-10-1)13-11-16-19-15(4-8-22(16)20-13)18-5-2-7-21-9-6-17-12-21/h1,3-4,6,8-12H,2,5,7H2,(H,18,19)
InChIKeyIXBDKJBRKSEVAL-UHFFFAOYSA-N
XLogP2.69
TPSA73.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 155899654) is 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1coc(-c2cc3nc(NCCCn4ccnc4)ccn3n2)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is IXBDKJBRKSEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-3-14(23-10-1)13-11-16-19-15(4-8-22(16)20-13)18-5-2-7-21-9-6-17-12-21/h1,3-4,6,8-12H,2,5,7H2,(H,18,19).
What are the key properties of 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 308.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155899654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).