N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C16H15N7O — CID 118380618

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nc(C2CC2)cc1Nc1nc(-c2ccoc2)nc2cn[nH]c12
InChIInChI=1S/C16H15N7O/c1-23-13(6-11(22-23)9-2-3-9)19-16-14-12(7-17-21-14)18-15(20-16)10-4-5-24-8-10/h4-9H,2-3H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUHOGVCAIXMLGEO-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.97
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 118380618) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID118380618
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nc(C2CC2)cc1Nc1nc(-c2ccoc2)nc2cn[nH]c12
InChIInChI=1S/C16H15N7O/c1-23-13(6-11(22-23)9-2-3-9)19-16-14-12(7-17-21-14)18-15(20-16)10-4-5-24-8-10/h4-9H,2-3H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUHOGVCAIXMLGEO-UHFFFAOYSA-N
XLogP2.97
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 118380618) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Cn1nc(C2CC2)cc1Nc1nc(-c2ccoc2)nc2cn[nH]c12.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UHOGVCAIXMLGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-23-13(6-11(22-23)9-2-3-9)19-16-14-12(7-17-21-14)18-15(20-16)10-4-5-24-8-10/h4-9H,2-3H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 321.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 118380618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).