N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide

C32H33F3N6O2 — CID 70684151

IUPACN-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCN(Cc2ccc(C(=O)Nc3cccc(-c4ccc5c(NC(=O)C6CC6)n[nH]c5c4)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C32H33F3N6O2/c1-2-40-12-14-41(15-13-40)19-24-9-8-23(17-27(24)32(33,34)35)31(43)36-25-5-3-4-21(16-25)22-10-11-26-28(18-22)38-39-29(26)37-30(42)20-6-7-20/h3-5,8-11,16-18,20H,2,6-7,12-15,19H2,1H3,(H,36,43)(H2,37,38,39,42)
InChIKeyJNTWFZMEHYELDP-UHFFFAOYSA-N
MW590.65 g/mol
LogP5.99
Rot. Bonds8

About N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide

N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 70684151) has the molecular formula C32H33F3N6O2 and a molecular weight of 590.65 g/mol. Its IUPAC name is N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID70684151
Molecular FormulaC32H33F3N6O2
Molecular Weight590.65 g/mol
Exact Mass590.26
IUPAC NameN-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCN(Cc2ccc(C(=O)Nc3cccc(-c4ccc5c(NC(=O)C6CC6)n[nH]c5c4)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C32H33F3N6O2/c1-2-40-12-14-41(15-13-40)19-24-9-8-23(17-27(24)32(33,34)35)31(43)36-25-5-3-4-21(16-25)22-10-11-26-28(18-22)38-39-29(26)37-30(42)20-6-7-20/h3-5,8-11,16-18,20H,2,6-7,12-15,19H2,1H3,(H,36,43)(H2,37,38,39,42)
InChIKeyJNTWFZMEHYELDP-UHFFFAOYSA-N
XLogP5.99
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.65
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-(3,5-dicyano-1,2,6-trimethyl-1,4-dihydropyridin-4-yl)-6-fluoro-7-methyl-1H-indazol-3-yl)-2-ethylbenzamide
CID 134817183
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
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
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
2-Amino-N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 25175860
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide
CID 25176007
2-(cyclohexylamino)-N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25176163
N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25176330

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide (CID 70684151) is N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide is CCN1CCN(Cc2ccc(C(=O)Nc3cccc(-c4ccc5c(NC(=O)C6CC6)n[nH]c5c4)c3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JNTWFZMEHYELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N6O2/c1-2-40-12-14-41(15-13-40)19-24-9-8-23(17-27(24)32(33,34)35)31(43)36-25-5-3-4-21(16-25)22-10-11-26-28(18-22)38-39-29(26)37-30(42)20-6-7-20/h3-5,8-11,16-18,20H,2,6-7,12-15,19H2,1H3,(H,36,43)(H2,37,38,39,42).
What are the key properties of N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 590.65 g/mol, XLogP of 5.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 70684151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).