4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide

C29H34N6O2 — CID 177354000

About 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide

4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 177354000) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
• PubChem CID: 177354000
• Molecular Formula: C29H34N6O2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.27
• IUPAC Name: 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
• SMILES: COc1nc(-c2ccnc3c2cc(CN2CCC(c4ccc(C(=O)N(C)C)cc4)CC2)n3C)ccc1N
• InChI: InChI=1S/C29H34N6O2/c1-33(2)29(36)21-7-5-19(6-8-21)20-12-15-35(16-13-20)18-22-17-24-23(11-14-31-27(24)34(22)3)26-10-9-25(30)28(32-26)37-4/h5-11,14,17,20H,12-13,15-16,18,30H2,1-4H3
• InChIKey: WBZOXBXUYCKQOX-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 89.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide (CID 177354000) is 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide is COc1nc(-c2ccnc3c2cc(CN2CCC(c4ccc(C(=O)N(C)C)cc4)CC2)n3C)ccc1N.

What is the InChIKey of 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

The InChIKey is WBZOXBXUYCKQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-33(2)29(36)21-7-5-19(6-8-21)20-12-15-35(16-13-20)18-22-17-24-23(11-14-31-27(24)34(22)3)26-10-9-25(30)28(32-26)37-4/h5-11,14,17,20H,12-13,15-16,18,30H2,1-4H3.

What are the key properties of 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide?

4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 498.63 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177354000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).