6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C31H37FN6O4 — CID 71283352

About 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71283352) has the molecular formula C31H37FN6O4 and a molecular weight of 576.67 g/mol. Its IUPAC name is 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 71283352
• Molecular Formula: C31H37FN6O4
• Molecular Weight: 576.67 g/mol
• Exact Mass: 576.29
• IUPAC Name: 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CN(C)CCCOc1ccc(-c2ccc3c(C(=O)Nc4cc(C(=O)NCCOC(C)(C)C)ccc4F)cnn3c2)cn1
• InChI: InChI=1S/C31H37FN6O4/c1-31(2,3)42-16-13-33-29(39)21-7-10-25(32)26(17-21)36-30(40)24-19-35-38-20-23(8-11-27(24)38)22-9-12-28(34-18-22)41-15-6-14-37(4)5/h7-12,17-20H,6,13-16H2,1-5H3,(H,33,39)(H,36,40)
• InChIKey: VHXALANHEYKEGR-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 110.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.67
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71283352) is 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)CCCOc1ccc(-c2ccc3c(C(=O)Nc4cc(C(=O)NCCOC(C)(C)C)ccc4F)cnn3c2)cn1.

What is the InChIKey of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is VHXALANHEYKEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN6O4/c1-31(2,3)42-16-13-33-29(39)21-7-10-25(32)26(17-21)36-30(40)24-19-35-38-20-23(8-11-27(24)38)22-9-12-28(34-18-22)41-15-6-14-37(4)5/h7-12,17-20H,6,13-16H2,1-5H3,(H,33,39)(H,36,40).

What are the key properties of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 576.67 g/mol, XLogP of 4.66, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).