4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide

C24H29N11O2 — CID 66788776

About 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 66788776) has the molecular formula C24H29N11O2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
• PubChem CID: 66788776
• Molecular Formula: C24H29N11O2
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.25
• IUPAC Name: 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
• SMILES: COc1ccc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cn1
• InChI: InChI=1S/C24H29N11O2/c1-15-27-21(31-23(25)28-15)20-22(29-16-5-8-19(37-4)26-13-16)30-18-7-6-17(14-35(18)20)33-9-11-34(12-10-33)24(36)32(2)3/h5-8,13-14,29H,9-12H2,1-4H3,(H2,25,27,28,31)
• InChIKey: WXJHQJVEUDYPFR-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 142.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?

The IUPAC name of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 66788776) is 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide.

What is the SMILES notation for 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?

The canonical SMILES for 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide is COc1ccc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cn1.

What is the InChIKey of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?

The InChIKey is WXJHQJVEUDYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N11O2/c1-15-27-21(31-23(25)28-15)20-22(29-16-5-8-19(37-4)26-13-16)30-18-7-6-17(14-35(18)20)33-9-11-34(12-10-33)24(36)32(2)3/h5-8,13-14,29H,9-12H2,1-4H3,(H2,25,27,28,31).

What are the key properties of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?

4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 503.57 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 66788776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).