1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide

C22H24F3N5O2 — CID 24988373

IUPAC1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
SMILESCN1CCN(c2nn(C)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1
InChIInChI=1S/C22H24F3N5O2/c1-28-9-11-30(12-10-28)20-18-8-5-16(13-19(18)29(2)27-20)21(31)26-14-15-3-6-17(7-4-15)32-22(23,24)25/h3-8,13H,9-12,14H2,1-2H3,(H,26,31)
InChIKeyNKCLQXYDAXNJBS-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.15
Rot. Bonds5

About 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide

1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide (PubChem CID 24988373) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
PubChem CID24988373
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
SMILESCN1CCN(c2nn(C)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1
InChIInChI=1S/C22H24F3N5O2/c1-28-9-11-30(12-10-28)20-18-8-5-16(13-19(18)29(2)27-20)21(31)26-14-15-3-6-17(7-4-15)32-22(23,24)25/h3-8,13H,9-12,14H2,1-2H3,(H,26,31)
InChIKeyNKCLQXYDAXNJBS-UHFFFAOYSA-N
XLogP3.15
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide (CID 24988373) is 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide.
What is the SMILES notation for 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The canonical SMILES for 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide is CN1CCN(c2nn(C)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
The InChIKey is NKCLQXYDAXNJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-28-9-11-30(12-10-28)20-18-8-5-16(13-19(18)29(2)27-20)21(31)26-14-15-3-6-17(7-4-15)32-22(23,24)25/h3-8,13H,9-12,14H2,1-2H3,(H,26,31).
What are the key properties of 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide?
1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide is sourced from PubChem (CID 24988373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).