N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide

C56H81N15O3 — CID 123852862

IUPACN,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide
SMILESCNCCN(C)Cc1cn(CC(C)NC(=O)Cc2ccc(-c3[nH]ncc3CN(C)CCNC)cc2)nc1-c1ccc(N(C)C(=O)C(C)Cc2[nH]nc(-c3ccc(NC(=O)C(C)C)cc3)c2CN(C)CCNC)cc1
InChIInChI=1S/C56H81N15O3/c1-38(2)55(73)62-47-20-16-44(17-21-47)54-49(37-69(10)29-26-59-7)50(63-65-54)30-39(3)56(74)70(11)48-22-18-43(19-23-48)53-46(35-68(9)28-25-58-6)36-71(66-53)33-40(4)61-51(72)31-41-12-14-42(15-13-41)52-45(32-60-64-52)34-67(8)27-24-57-5/h12-23,32,36,38-40,57-59H,24-31,33-35,37H2,1-11H3,(H,60,64)(H,61,72)(H,62,73)(H,63,65)
InChIKeyKUBAUWBUPXWWGO-UHFFFAOYSA-N
MW1012.37 g/mol
LogP5.47
Rot. Bonds29

About N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide

N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide (PubChem CID 123852862) has the molecular formula C56H81N15O3 and a molecular weight of 1012.37 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide
PubChem CID123852862
Molecular FormulaC56H81N15O3
Molecular Weight1012.37 g/mol
Exact Mass1011.66
IUPAC NameN,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide
SMILESCNCCN(C)Cc1cn(CC(C)NC(=O)Cc2ccc(-c3[nH]ncc3CN(C)CCNC)cc2)nc1-c1ccc(N(C)C(=O)C(C)Cc2[nH]nc(-c3ccc(NC(=O)C(C)C)cc3)c2CN(C)CCNC)cc1
InChIInChI=1S/C56H81N15O3/c1-38(2)55(73)62-47-20-16-44(17-21-47)54-49(37-69(10)29-26-59-7)50(63-65-54)30-39(3)56(74)70(11)48-22-18-43(19-23-48)53-46(35-68(9)28-25-58-6)36-71(66-53)33-40(4)61-51(72)31-41-12-14-42(15-13-41)52-45(32-60-64-52)34-67(8)27-24-57-5/h12-23,32,36,38-40,57-59H,24-31,33-35,37H2,1-11H3,(H,60,64)(H,61,72)(H,62,73)(H,63,65)
InChIKeyKUBAUWBUPXWWGO-UHFFFAOYSA-N
XLogP5.47
TPSA199.50 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001012.37
LogP ≤ 55.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide with MolForge

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Related Compounds

N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
(2S)-1-(2-phenylacetyl)-N-[4-[3-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 53303349
(2S)-N-[4-[1-methyl-5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]pyrazol-3-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 58533055
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
CID 117671051
N-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxo-1-spiro[2.5]octan-6-ylethyl]-2-methylpyrazole-3-carboxamide
CID 150747412
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 153616641
N-[(2S)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 154953591
2-methyl-N-[(2S)-1-[4-(5-methyl-1H-pyrazol-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide
CID 154953692
N-[(2S)-1,1-di(cyclobutyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779174
N-[(2S)-1,1-di(cyclobutyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 156779202
US20230286943, Example 6
CID 156779288

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide?
The IUPAC name of N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide (CID 123852862) is N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide is CNCCN(C)Cc1cn(CC(C)NC(=O)Cc2ccc(-c3[nH]ncc3CN(C)CCNC)cc2)nc1-c1ccc(N(C)C(=O)C(C)Cc2[nH]nc(-c3ccc(NC(=O)C(C)C)cc3)c2CN(C)CCNC)cc1.
What is the InChIKey of N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide?
The InChIKey is KUBAUWBUPXWWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H81N15O3/c1-38(2)55(73)62-47-20-16-44(17-21-47)54-49(37-69(10)29-26-59-7)50(63-65-54)30-39(3)56(74)70(11)48-22-18-43(19-23-48)53-46(35-68(9)28-25-58-6)36-71(66-53)33-40(4)61-51(72)31-41-12-14-42(15-13-41)52-45(32-60-64-52)34-67(8)27-24-57-5/h12-23,32,36,38-40,57-59H,24-31,33-35,37H2,1-11H3,(H,60,64)(H,61,72)(H,62,73)(H,63,65).
What are the key properties of N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide?
N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide has a molecular weight of 1012.37 g/mol, XLogP of 5.47, 29 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[2-[[2-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]phenyl]acetyl]amino]propyl]pyrazol-3-yl]phenyl]-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-3-[4-(2-methylpropanoylamino)phenyl]-1H-pyrazol-5-yl]propanamide is sourced from PubChem (CID 123852862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).