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

C24H27N5O4 — CID 164554607

IUPACN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C24H27N5O4/c1-14(2)33-21-17(20(30)25-18-5-4-8-28(22(18)31)16-6-7-16)9-15-10-29(27-19(15)26-21)24-11-23(3,12-24)32-13-24/h4-5,8-10,14,16H,6-7,11-13H2,1-3H3,(H,25,30)
InChIKeyBUKZEGUEABJBSO-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.25
Rot. Bonds6

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

N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 164554607) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID164554607
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C24H27N5O4/c1-14(2)33-21-17(20(30)25-18-5-4-8-28(22(18)31)16-6-7-16)9-15-10-29(27-19(15)26-21)24-11-23(3,12-24)32-13-24/h4-5,8-10,14,16H,6-7,11-13H2,1-3H3,(H,25,30)
InChIKeyBUKZEGUEABJBSO-UHFFFAOYSA-N
XLogP3.25
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (CID 164554607) is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Oc1nc2nn(C34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O.
What is the InChIKey of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BUKZEGUEABJBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-14(2)33-21-17(20(30)25-18-5-4-8-28(22(18)31)16-6-7-16)9-15-10-29(27-19(15)26-21)24-11-23(3,12-24)32-13-24/h4-5,8-10,14,16H,6-7,11-13H2,1-3H3,(H,25,30).
What are the key properties of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 164554607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).