[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten

C16H22N5O2W- — CID 140522534

IUPAC[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1C([NH-])=O.[W]
InChIInChI=1S/C16H23N5O2.W/c1-3-12-13(15(17)22)14(19-10-5-7-23-8-6-10)11-9-18-21(4-2)16(11)20-12;/h9-10H,3-8H2,1-2H3,(H3,17,18,19,20,22);/p-1
InChIKeyASSBVLFKBXFAID-UHFFFAOYSA-M
MW500.23 g/mol
LogP2.79
Rot. Bonds5

About [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten

[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten (PubChem CID 140522534) has the molecular formula C16H22N5O2W- and a molecular weight of 500.23 g/mol. Its IUPAC name is [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten.

Molecular Properties

Compound Name[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten
PubChem CID140522534
Molecular FormulaC16H22N5O2W-
Molecular Weight500.23 g/mol
Exact Mass500.13
IUPAC Name[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1C([NH-])=O.[W]
InChIInChI=1S/C16H23N5O2.W/c1-3-12-13(15(17)22)14(19-10-5-7-23-8-6-10)11-9-18-21(4-2)16(11)20-12;/h9-10H,3-8H2,1-2H3,(H3,17,18,19,20,22);/p-1
InChIKeyASSBVLFKBXFAID-UHFFFAOYSA-M
XLogP2.79
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten?
The IUPAC name of [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten (CID 140522534) is [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten.
What is the SMILES notation for [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten?
The canonical SMILES for [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten is CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1C([NH-])=O.[W].
What is the InChIKey of [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten?
The InChIKey is ASSBVLFKBXFAID-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23N5O2.W/c1-3-12-13(15(17)22)14(19-10-5-7-23-8-6-10)11-9-18-21(4-2)16(11)20-12;/h9-10H,3-8H2,1-2H3,(H3,17,18,19,20,22);/p-1.
What are the key properties of [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten?
[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten has a molecular weight of 500.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten is sourced from PubChem (CID 140522534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).