N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide

C42H60N8O6 — CID 24965110

IUPACN-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
SMILESCCN(CCCN1CCN(CCCN(CC)C(=O)Cn2nc(C(=O)C(C)C)c3ccc(OC)cc32)CC1)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21
InChIInChI=1S/C42H60N8O6/c1-9-47(37(51)27-49-35-25-31(55-7)13-15-33(35)39(43-49)41(53)29(3)4)19-11-17-45-21-23-46(24-22-45)18-12-20-48(10-2)38(52)28-50-36-26-32(56-8)14-16-34(36)40(44-50)42(54)30(5)6/h13-16,25-26,29-30H,9-12,17-24,27-28H2,1-8H3
InChIKeyBVTXAJLWTKBZOD-UHFFFAOYSA-N
MW772.99 g/mol
LogP4.88
Rot. Bonds20

About N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide

N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide (PubChem CID 24965110) has the molecular formula C42H60N8O6 and a molecular weight of 772.99 g/mol. Its IUPAC name is N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
PubChem CID24965110
Molecular FormulaC42H60N8O6
Molecular Weight772.99 g/mol
Exact Mass772.46
IUPAC NameN-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
SMILESCCN(CCCN1CCN(CCCN(CC)C(=O)Cn2nc(C(=O)C(C)C)c3ccc(OC)cc32)CC1)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21
InChIInChI=1S/C42H60N8O6/c1-9-47(37(51)27-49-35-25-31(55-7)13-15-33(35)39(43-49)41(53)29(3)4)19-11-17-45-21-23-46(24-22-45)18-12-20-48(10-2)38(52)28-50-36-26-32(56-8)14-16-34(36)40(44-50)42(54)30(5)6/h13-16,25-26,29-30H,9-12,17-24,27-28H2,1-8H3
InChIKeyBVTXAJLWTKBZOD-UHFFFAOYSA-N
XLogP4.88
TPSA135.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.99
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide (CID 24965110) is N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide is CCN(CCCN1CCN(CCCN(CC)C(=O)Cn2nc(C(=O)C(C)C)c3ccc(OC)cc32)CC1)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21.
What is the InChIKey of N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
The InChIKey is BVTXAJLWTKBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H60N8O6/c1-9-47(37(51)27-49-35-25-31(55-7)13-15-33(35)39(43-49)41(53)29(3)4)19-11-17-45-21-23-46(24-22-45)18-12-20-48(10-2)38(52)28-50-36-26-32(56-8)14-16-34(36)40(44-50)42(54)30(5)6/h13-16,25-26,29-30H,9-12,17-24,27-28H2,1-8H3.
What are the key properties of N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide?
N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide has a molecular weight of 772.99 g/mol, XLogP of 4.88, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide is sourced from PubChem (CID 24965110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).