1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C24H16F3N5O2 — CID 55504742

About 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55504742) has the molecular formula C24H16F3N5O2 and a molecular weight of 463.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55504742
• Molecular Formula: C24H16F3N5O2
• Molecular Weight: 463.42 g/mol
• Exact Mass: 463.13
• IUPAC Name: 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1
• InChI: InChI=1S/C24H16F3N5O2/c25-24(26,27)16-5-7-17(8-6-16)30-23(33)19-11-21(15-3-1-9-28-12-15)31-22-20(19)13-29-32(22)14-18-4-2-10-34-18/h1-13H,14H2,(H,30,33)
• InChIKey: LEXZMNXOEXCVGC-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.42
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55504742) is 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1.

What is the InChIKey of 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is LEXZMNXOEXCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2/c25-24(26,27)16-5-7-17(8-6-16)30-23(33)19-11-21(15-3-1-9-28-12-15)31-22-20(19)13-29-32(22)14-18-4-2-10-34-18/h1-13H,14H2,(H,30,33).

What are the key properties of 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55504742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).