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

C21H22F3N5O2 — CID 24987623

IUPAC3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1
InChIInChI=1S/C21H22F3N5O2/c1-28-8-10-29(11-9-28)19-17-7-4-15(12-18(17)26-27-19)20(30)25-13-14-2-5-16(6-3-14)31-21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27)
InChIKeyLQUIDXKLXQVMAH-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.14
Rot. Bonds5

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

3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide (PubChem CID 24987623) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide
PubChem CID24987623
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1
InChIInChI=1S/C21H22F3N5O2/c1-28-8-10-29(11-9-28)19-17-7-4-15(12-18(17)26-27-19)20(30)25-13-14-2-5-16(6-3-14)31-21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27)
InChIKeyLQUIDXKLXQVMAH-UHFFFAOYSA-N
XLogP3.14
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide (CID 24987623) is 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide is CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide?
The InChIKey is LQUIDXKLXQVMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-28-8-10-29(11-9-28)19-17-7-4-15(12-18(17)26-27-19)20(30)25-13-14-2-5-16(6-3-14)31-21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide?
3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 24987623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).