5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide

C22H25N7O2 — CID 59394126

About 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide

5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide (PubChem CID 59394126) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide
• PubChem CID: 59394126
• Molecular Formula: C22H25N7O2
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.21
• IUPAC Name: 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide
• SMILES: CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C)n(C(C)C)n3)c2)ncn1
• InChI: InChI=1S/C22H25N7O2/c1-14(2)29-15(3)9-20(27-29)26-22(30)28-8-7-16-10-18(5-6-19(16)28)31-21-11-17(12-23-4)24-13-25-21/h5-11,13-14,23H,12H2,1-4H3,(H,26,27,30)
• InChIKey: UZJBMAJFLBFFOG-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide?

The IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide (CID 59394126) is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide.

What is the SMILES notation for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide?

The canonical SMILES for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C)n(C(C)C)n3)c2)ncn1.

What is the InChIKey of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide?

The InChIKey is UZJBMAJFLBFFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14(2)29-15(3)9-20(27-29)26-22(30)28-8-7-16-10-18(5-6-19(16)28)31-21-11-17(12-23-4)24-13-25-21/h5-11,13-14,23H,12H2,1-4H3,(H,26,27,30).

What are the key properties of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide?

5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide is sourced from PubChem (CID 59394126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).