6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C25H29N5O4 — CID 167137238

IUPAC6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC[C@@H](C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C25H29N5O4/c1-4-15(2)34-22-18(21(31)26-19-6-5-9-29(23(19)32)17-7-8-17)10-16-11-30(28-20(16)27-22)25-12-24(3,13-25)33-14-25/h5-6,9-11,15,17H,4,7-8,12-14H2,1-3H3,(H,26,31)/t15-,24?,25?/m1/s1
InChIKeyWKBAGRZDMPTUBH-VDLWZEDESA-N
MW463.54 g/mol
LogP3.64
Rot. Bonds7

About 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 167137238) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID167137238
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC[C@@H](C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C25H29N5O4/c1-4-15(2)34-22-18(21(31)26-19-6-5-9-29(23(19)32)17-7-8-17)10-16-11-30(28-20(16)27-22)25-12-24(3,13-25)33-14-25/h5-6,9-11,15,17H,4,7-8,12-14H2,1-3H3,(H,26,31)/t15-,24?,25?/m1/s1
InChIKeyWKBAGRZDMPTUBH-VDLWZEDESA-N
XLogP3.64
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 167137238) is 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC[C@@H](C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O.
What is the InChIKey of 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WKBAGRZDMPTUBH-VDLWZEDESA-N. The full InChI is InChI=1S/C25H29N5O4/c1-4-15(2)34-22-18(21(31)26-19-6-5-9-29(23(19)32)17-7-8-17)10-16-11-30(28-20(16)27-22)25-12-24(3,13-25)33-14-25/h5-6,9-11,15,17H,4,7-8,12-14H2,1-3H3,(H,26,31)/t15-,24?,25?/m1/s1.
What are the key properties of 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-butan-2-yl]oxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 167137238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).