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

C24H27N5O4 — CID 169223749

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

N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 169223749) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 169223749
• Molecular Formula: C24H27N5O4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.21
• IUPAC Name: N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CC(C)Oc1nc2nn(C34COC(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O
• InChI: InChI=1S/C24H27N5O4/c1-13(2)33-22-17(21(30)25-18-5-4-6-28(23(18)31)19-7-14(19)3)8-15-11-29(27-20(15)26-22)24-9-16(10-24)32-12-24/h4-6,8,11,13-14,16,19H,7,9-10,12H2,1-3H3,(H,25,30)/t14-,16?,19+,24?/m1/s1
• InChIKey: CDIXVDJWJCCOFO-AXNJRRQQSA-N
• XLogP: 3.10
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (CID 169223749) is N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(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-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Oc1nc2nn(C34COC(C3)C4)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2C)c1=O.

What is the InChIKey of N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is CDIXVDJWJCCOFO-AXNJRRQQSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-13(2)33-22-17(21(30)25-18-5-4-6-28(23(18)31)19-7-14(19)3)8-15-11-29(27-20(15)26-22)24-9-16(10-24)32-12-24/h4-6,8,11,13-14,16,19H,7,9-10,12H2,1-3H3,(H,25,30)/t14-,16?,19+,24?/m1/s1.

What are the key properties of N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?

N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(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 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1S,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 169223749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).