N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride

C49H67ClN18O5 — CID 158704141

About N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride

N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 158704141) has the molecular formula C49H67ClN18O5 and a molecular weight of 1023.65 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride
• PubChem CID: 158704141
• Molecular Formula: C49H67ClN18O5
• Molecular Weight: 1023.65 g/mol
• Exact Mass: 1022.52
• IUPAC Name: N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride
• SMILES: CN(C)C(=O)N1CCN(Cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CC1.CN(C)C(=O)N1CCN(Cc2nc(-c3cccc4nn(C5CCCCO5)cc34)nc(N3CCOCC3)n2)CC1.Cl
• InChI: InChI=1S/C27H37N9O3.C22H29N9O2.ClH/c1-32(2)27(37)35-11-9-33(10-12-35)19-23-28-25(30-26(29-23)34-13-16-38-17-14-34)20-6-5-7-22-21(20)18-36(31-22)24-8-3-4-15-39-24;1-28(2)22(32)31-8-6-29(7-9-31)15-19-24-20(16-4-3-5-18-17(16)14-23-27-18)26-21(25-19)30-10-12-33-13-11-30;/h5-7,18,24H,3-4,8-17,19H2,1-2H3;3-5,14H,6-13,15H2,1-2H3,(H,23,27);1H
• InChIKey: VNXYRNJXWFEZKY-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 211.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.65
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride?

The IUPAC name of N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride (CID 158704141) is N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride.

What is the SMILES notation for N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride?

The canonical SMILES for N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride is CN(C)C(=O)N1CCN(Cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)CC1.CN(C)C(=O)N1CCN(Cc2nc(-c3cccc4nn(C5CCCCO5)cc34)nc(N3CCOCC3)n2)CC1.Cl.

What is the InChIKey of N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride?

The InChIKey is VNXYRNJXWFEZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N9O3.C22H29N9O2.ClH/c1-32(2)27(37)35-11-9-33(10-12-35)19-23-28-25(30-26(29-23)34-13-16-38-17-14-34)20-6-5-7-22-21(20)18-36(31-22)24-8-3-4-15-39-24;1-28(2)22(32)31-8-6-29(7-9-31)15-19-24-20(16-4-3-5-18-17(16)14-23-27-18)26-21(25-19)30-10-12-33-13-11-30;/h5-7,18,24H,3-4,8-17,19H2,1-2H3;3-5,14H,6-13,15H2,1-2H3,(H,23,27);1H.

What are the key properties of N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride?

N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 1023.65 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[[4-morpholin-4-yl-6-[2-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl]piperazine-1-carboxamide;4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 158704141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).