4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide

C₃₇H₃₈N₁₀O₃ — CID 175734496

About 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide

4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 175734496) has the molecular formula C₃₇H₃₈N₁₀O₃ and a molecular weight of 670.78 g/mol. Its IUPAC name is 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
• PubChem CID: 175734496
• Molecular Formula: C₃₇H₃₈N₁₀O₃
• Molecular Weight: 670.78 g/mol
• Exact Mass: 670.31
• IUPAC Name: 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
• SMILES: Cc1c(-c2cnn(C)c2)c(-c2ccc(-c3cc(C4CCN(C(=O)C(C)C)CC4)n4ncnc(N)c34)cc2)c(C(N)=O)c(=O)n1-c1cccnc1
• InChI: InChI=1S/C37H38N10O3/c1-21(2)36(49)45-14-11-24(12-15-45)29-16-28(33-34(38)41-20-43-47(29)33)23-7-9-25(10-8-23)31-30(26-17-42-44(4)19-26)22(3)46(27-6-5-13-40-18-27)37(50)32(31)35(39)48/h5-10,13,16-21,24H,11-12,14-15H2,1-4H3,(H2,39,48)(H2,38,41,43)
• InChIKey: USRVSZKWFCWJPO-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 172.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.78
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?

The IUPAC name of 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (CID 175734496) is 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide.

What is the SMILES notation for 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?

The canonical SMILES for 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide is Cc1c(-c2cnn(C)c2)c(-c2ccc(-c3cc(C4CCN(C(=O)C(C)C)CC4)n4ncnc(N)c34)cc2)c(C(N)=O)c(=O)n1-c1cccnc1.

What is the InChIKey of 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?

The InChIKey is USRVSZKWFCWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N10O3/c1-21(2)36(49)45-14-11-24(12-15-45)29-16-28(33-34(38)41-20-43-47(29)33)23-7-9-25(10-8-23)31-30(26-17-42-44(4)19-26)22(3)46(27-6-5-13-40-18-27)37(50)32(31)35(39)48/h5-10,13,16-21,24H,11-12,14-15H2,1-4H3,(H2,39,48)(H2,38,41,43).

What are the key properties of 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?

4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 670.78 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 175734496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175734496 — identifiers, structure, computed properties (public domain)

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