4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide

C21H27F3N6O — CID 156708465

IUPAC4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide
SMILESCN1CCN(c2ncccc2-c2cn(C(=O)NCCCC3(C(F)(F)F)CC3)cn2)CC1
InChIInChI=1S/C21H27F3N6O/c1-28-10-12-29(13-11-28)18-16(4-2-8-25-18)17-14-30(15-27-17)19(31)26-9-3-5-20(6-7-20)21(22,23)24/h2,4,8,14-15H,3,5-7,9-13H2,1H3,(H,26,31)
InChIKeyMQQWBMZTLHBAIV-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.38
Rot. Bonds6

About 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide

4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide (PubChem CID 156708465) has the molecular formula C21H27F3N6O and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide
PubChem CID156708465
Molecular FormulaC21H27F3N6O
Molecular Weight436.48 g/mol
Exact Mass436.22
IUPAC Name4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide
SMILESCN1CCN(c2ncccc2-c2cn(C(=O)NCCCC3(C(F)(F)F)CC3)cn2)CC1
InChIInChI=1S/C21H27F3N6O/c1-28-10-12-29(13-11-28)18-16(4-2-8-25-18)17-14-30(15-27-17)19(31)26-9-3-5-20(6-7-20)21(22,23)24/h2,4,8,14-15H,3,5-7,9-13H2,1H3,(H,26,31)
InChIKeyMQQWBMZTLHBAIV-UHFFFAOYSA-N
XLogP3.38
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide
CID 175826573
2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 84576829
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 84576816
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
2-[[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]ethyl nitrate
CID 15678842
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide (CID 156708465) is 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide is CN1CCN(c2ncccc2-c2cn(C(=O)NCCCC3(C(F)(F)F)CC3)cn2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide?
The InChIKey is MQQWBMZTLHBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N6O/c1-28-10-12-29(13-11-28)18-16(4-2-8-25-18)17-14-30(15-27-17)19(31)26-9-3-5-20(6-7-20)21(22,23)24/h2,4,8,14-15H,3,5-7,9-13H2,1H3,(H,26,31).
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide?
4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]imidazole-1-carboxamide is sourced from PubChem (CID 156708465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).