N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C26H29N5O3 — CID 24518081

About N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24518081) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24518081
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)c1cc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C26H29N5O3/c1-17(2)23-13-21(22-14-27-31(18(3)4)25(22)29-23)26(33)30(15-20-11-8-12-34-20)16-24(32)28-19-9-6-5-7-10-19/h5-14,17-18H,15-16H2,1-4H3,(H,28,32)
• InChIKey: AWFHNKOISMWGGO-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 24518081) is N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c2cnn(C(C)C)c2n1.

What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is AWFHNKOISMWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17(2)23-13-21(22-14-27-31(18(3)4)25(22)29-23)26(33)30(15-20-11-8-12-34-20)16-24(32)28-19-9-6-5-7-10-19/h5-14,17-18H,15-16H2,1-4H3,(H,28,32).

What are the key properties of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24518081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).