[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone

C₂₄H₂₇N₅O₂ — CID 134796294

About [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone

[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone (PubChem CID 134796294) has the molecular formula C₂₄H₂₇N₅O₂ and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
• PubChem CID: 134796294
• Molecular Formula: C₂₄H₂₇N₅O₂
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
• SMILES: Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
• InChI: InChI=1S/C24H27N5O2/c1-16-5-2-3-6-19(16)24(31)29-14-10-18(15-29)23(30)28-12-8-17(9-13-28)21-26-20-7-4-11-25-22(20)27-21/h2-7,11,17-18H,8-10,12-15H2,1H3,(H,25,26,27)
• InChIKey: ZJLJPFRIEXCMEX-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?

The IUPAC name of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone (CID 134796294) is [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone.

What is the SMILES notation for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?

The canonical SMILES for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone is Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1.

What is the InChIKey of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?

The InChIKey is ZJLJPFRIEXCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-5-2-3-6-19(16)24(31)29-14-10-18(15-29)23(30)28-12-8-17(9-13-28)21-26-20-7-4-11-25-22(20)27-21/h2-7,11,17-18H,8-10,12-15H2,1H3,(H,25,26,27).

What are the key properties of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?

[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 134796294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134796294 — identifiers, structure, computed properties (public domain)

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