N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide

C22H22N8O — CID 162432455

About N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide

N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide (PubChem CID 162432455) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide.

Molecular Properties

• Compound Name: N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide
• PubChem CID: 162432455
• Molecular Formula: C22H22N8O
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.19
• IUPAC Name: N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide
• SMILES: CNc1c(N(C)C=O)cnc2[nH]c(-c3cnn(C)c3)c(-c3ccc4c(cnn4C)c3)c12
• InChI: InChI=1S/C22H22N8O/c1-23-21-17(28(2)12-31)10-24-22-19(21)18(20(27-22)15-9-25-29(3)11-15)13-5-6-16-14(7-13)8-26-30(16)4/h5-12H,1-4H3,(H2,23,24,27)
• InChIKey: IVUPMWICTDPWDF-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 96.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?

The IUPAC name of N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide (CID 162432455) is N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide.

What is the SMILES notation for N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?

The canonical SMILES for N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide is CNc1c(N(C)C=O)cnc2[nH]c(-c3cnn(C)c3)c(-c3ccc4c(cnn4C)c3)c12.

What is the InChIKey of N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?

The InChIKey is IVUPMWICTDPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-23-21-17(28(2)12-31)10-24-22-19(21)18(20(27-22)15-9-25-29(3)11-15)13-5-6-16-14(7-13)8-26-30(16)4/h5-12H,1-4H3,(H2,23,24,27).

What are the key properties of N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide?

N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide has a molecular weight of 414.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[4-(methylamino)-3-(1-methylindazol-5-yl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]formamide is sourced from PubChem (CID 162432455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).