1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H26N6O3 — CID 55610578

About 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55610578) has the molecular formula C28H26N6O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55610578
• Molecular Formula: C28H26N6O3
• Molecular Weight: 494.56 g/mol
• Exact Mass: 494.21
• IUPAC Name: 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)cc1
• InChI: InChI=1S/C28H26N6O3/c1-18(2)31-26(35)13-19-7-9-21(10-8-19)32-28(36)23-14-25(20-5-3-11-29-15-20)33-27-24(23)16-30-34(27)17-22-6-4-12-37-22/h3-12,14-16,18H,13,17H2,1-2H3,(H,31,35)(H,32,36)
• InChIKey: HGUYMGLRHJICAF-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.56
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55610578) is 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)cc1.

What is the InChIKey of 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is HGUYMGLRHJICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O3/c1-18(2)31-26(35)13-19-7-9-21(10-8-19)32-28(36)23-14-25(20-5-3-11-29-15-20)33-27-24(23)16-30-34(27)17-22-6-4-12-37-22/h3-12,14-16,18H,13,17H2,1-2H3,(H,31,35)(H,32,36).

What are the key properties of 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55610578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).