N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C33H37FN10O3 — CID 166937904

About N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166937904) has the molecular formula C33H37FN10O3 and a molecular weight of 640.72 g/mol. Its IUPAC name is N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 166937904
• Molecular Formula: C33H37FN10O3
• Molecular Weight: 640.72 g/mol
• Exact Mass: 640.30
• IUPAC Name: N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cn1ccc(-n2c(=O)c(C(=O)Nc3ccc(-c4cc(C5CCN(C(=O)C(C)(C)F)CC5)n5ncnc(N)c45)cc3)c3n2CCCC3)n1
• InChI: InChI=1S/C33H37FN10O3/c1-33(2,34)32(47)41-16-11-21(12-17-41)25-18-23(28-29(35)36-19-37-43(25)28)20-7-9-22(10-8-20)38-30(45)27-24-6-4-5-14-42(24)44(31(27)46)26-13-15-40(3)39-26/h7-10,13,15,18-19,21H,4-6,11-12,14,16-17H2,1-3H3,(H,38,45)(H2,35,36,37)
• InChIKey: SJMIQXVIXGSHHP-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 150.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.72
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 166937904) is N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Cn1ccc(-n2c(=O)c(C(=O)Nc3ccc(-c4cc(C5CCN(C(=O)C(C)(C)F)CC5)n5ncnc(N)c45)cc3)c3n2CCCC3)n1.

What is the InChIKey of N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is SJMIQXVIXGSHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN10O3/c1-33(2,34)32(47)41-16-11-21(12-17-41)25-18-23(28-29(35)36-19-37-43(25)28)20-7-9-22(10-8-20)38-30(45)27-24-6-4-5-14-42(24)44(31(27)46)26-13-15-40(3)39-26/h7-10,13,15,18-19,21H,4-6,11-12,14,16-17H2,1-3H3,(H,38,45)(H2,35,36,37).

What are the key properties of N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 640.72 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-7-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(1-methylpyrazol-3-yl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166937904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).