N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide

C43H59N9O2 — CID 123219166

IUPACN,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide
SMILESCNCCN(C)Cc1nn(CC(C)c2cc(-c3cn[nH]c3CN(C)CCNC)cc(C(C)C)c2)cc1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1
InChIInChI=1S/C43H59N9O2/c1-30(2)33-21-34(23-35(22-33)38-25-46-47-40(38)28-50(8)19-17-44-4)31(3)26-52-27-39(41(48-52)29-51(9)20-18-45-5)32-15-16-42(37(24-32)43(53)49(6)7)54-36-13-11-10-12-14-36/h10-16,21-25,27,30-31,44-45H,17-20,26,28-29H2,1-9H3,(H,46,47)
InChIKeyILZDMYKXEWMGGQ-UHFFFAOYSA-N
MW734.01 g/mol
LogP6.66
Rot. Bonds19

About N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide

N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide (PubChem CID 123219166) has the molecular formula C43H59N9O2 and a molecular weight of 734.01 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide
PubChem CID123219166
Molecular FormulaC43H59N9O2
Molecular Weight734.01 g/mol
Exact Mass733.48
IUPAC NameN,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide
SMILESCNCCN(C)Cc1nn(CC(C)c2cc(-c3cn[nH]c3CN(C)CCNC)cc(C(C)C)c2)cc1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1
InChIInChI=1S/C43H59N9O2/c1-30(2)33-21-34(23-35(22-33)38-25-46-47-40(38)28-50(8)19-17-44-4)31(3)26-52-27-39(41(48-52)29-51(9)20-18-45-5)32-15-16-42(37(24-32)43(53)49(6)7)54-36-13-11-10-12-14-36/h10-16,21-25,27,30-31,44-45H,17-20,26,28-29H2,1-9H3,(H,46,47)
InChIKeyILZDMYKXEWMGGQ-UHFFFAOYSA-N
XLogP6.66
TPSA106.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.01
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)chroman-3,6-dicarboxamide
CID 44571470
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)-N6-methylchroman-3,6-dicarboxamide
CID 44571681
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-methyl-2-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673406
N,N-dimethyl-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673422
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884755
BRD4 Inhibitor-33
CID 89657434
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 42357493
5-(3-(1H-Pyrazol-5-yl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide
CID 59275218
5-(3-(1-Benzyl-1H-pyrazol-5-yl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide
CID 59275233
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1H-pyrazol-4-yl)-N-4-pyridazinylbenzamide
CID 67107402

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide?
The IUPAC name of N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide (CID 123219166) is N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide.
What is the SMILES notation for N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide?
The canonical SMILES for N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide is CNCCN(C)Cc1nn(CC(C)c2cc(-c3cn[nH]c3CN(C)CCNC)cc(C(C)C)c2)cc1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide?
The InChIKey is ILZDMYKXEWMGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59N9O2/c1-30(2)33-21-34(23-35(22-33)38-25-46-47-40(38)28-50(8)19-17-44-4)31(3)26-52-27-39(41(48-52)29-51(9)20-18-45-5)32-15-16-42(37(24-32)43(53)49(6)7)54-36-13-11-10-12-14-36/h10-16,21-25,27,30-31,44-45H,17-20,26,28-29H2,1-9H3,(H,46,47).
What are the key properties of N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide?
N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide has a molecular weight of 734.01 g/mol, XLogP of 6.66, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[3-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]-5-propan-2-ylphenyl]propyl]pyrazol-4-yl]-2-phenoxybenzamide is sourced from PubChem (CID 123219166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).