4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide

C₂₃H₂₆N₁₀O — CID 139683395

About 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide

4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 139683395) has the molecular formula C₂₃H₂₆N₁₀O and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

• Compound Name: 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide
• PubChem CID: 139683395
• Molecular Formula: C₂₃H₂₆N₁₀O
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.23
• IUPAC Name: 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide
• SMILES: Cn1c(-c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21
• InChI: InChI=1S/C23H26N10O/c1-31-18(15-6-8-16(9-7-15)21(34)26-22-27-29-30-28-22)14-17-19(31)24-23(33-12-4-5-13-33)25-20(17)32-10-2-3-11-32/h6-9,14H,2-5,10-13H2,1H3,(H2,26,27,28,29,30,34)
• InChIKey: FOGWIQZVAGUFNT-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 120.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide?

The IUPAC name of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide (CID 139683395) is 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide.

What is the SMILES notation for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide?

The canonical SMILES for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide is Cn1c(-c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc2c(N3CCCC3)nc(N3CCCC3)nc21.

What is the InChIKey of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide?

The InChIKey is FOGWIQZVAGUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O/c1-31-18(15-6-8-16(9-7-15)21(34)26-22-27-29-30-28-22)14-17-19(31)24-23(33-12-4-5-13-33)25-20(17)32-10-2-3-11-32/h6-9,14H,2-5,10-13H2,1H3,(H2,26,27,28,29,30,34).

What are the key properties of 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide?

4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 458.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-methyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-6-yl)-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 139683395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139683395 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.