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

C21H22F3N5O — CID 24987621

IUPAC3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc23)CC1
InChIInChI=1S/C21H22F3N5O/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)21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27)
InChIKeyNGJXJNMCINMRIO-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.26
Rot. Bonds4

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

3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide (PubChem CID 24987621) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide
PubChem CID24987621
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc23)CC1
InChIInChI=1S/C21H22F3N5O/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)21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27)
InChIKeyNGJXJNMCINMRIO-UHFFFAOYSA-N
XLogP3.26
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Kw-2449
CID 11427553
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 70690444
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
7-(4-Methylpiperazin-1-Yl)-4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-(Propan-2-Yl)phthalazin-1(2h)-One
CID 11545405
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-(2-aminophenyl)-4-((5-phenyl-1H-pyrazol-3-ylamino)methyl)benzamide
CID 22478720
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-fluoroethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25174241
N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(phenylamino)benzamide
CID 25174394
3-amino-N-[3-[[(3,4-difluorophenyl)carbamoylamino]methyl]phenyl]-1H-indazole-4-carboxamide
CID 25174496
3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide
CID 25175157
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide (CID 24987621) is 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide is CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide?
The InChIKey is NGJXJNMCINMRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/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)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-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide?
3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 24987621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).