N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C33H31F2N5O2 — CID 137123725

IUPACN-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(-c2cc3[nH]nc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)c3cc2Cc2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C33H31F2N5O2/c1-20-13-23(5-8-31(20)41)28-19-30-29(17-24(28)14-21-15-25(34)18-26(35)16-21)32(38-37-30)36-33(42)22-3-6-27(7-4-22)40-11-9-39(2)10-12-40/h3-8,13,15-19,41H,9-12,14H2,1-2H3,(H2,36,37,38,42)
InChIKeyFVNWAYAHKFHJAY-UHFFFAOYSA-N
MW567.64 g/mol
LogP6.12
Rot. Bonds6

About N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 137123725) has the molecular formula C33H31F2N5O2 and a molecular weight of 567.64 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID137123725
Molecular FormulaC33H31F2N5O2
Molecular Weight567.64 g/mol
Exact Mass567.24
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(-c2cc3[nH]nc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)c3cc2Cc2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C33H31F2N5O2/c1-20-13-23(5-8-31(20)41)28-19-30-29(17-24(28)14-21-15-25(34)18-26(35)16-21)32(38-37-30)36-33(42)22-3-6-27(7-4-22)40-11-9-39(2)10-12-40/h3-8,13,15-19,41H,9-12,14H2,1-2H3,(H2,36,37,38,42)
InChIKeyFVNWAYAHKFHJAY-UHFFFAOYSA-N
XLogP6.12
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.64
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)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-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-piperazin-1-ylbenzamide
CID 137278696
N-[5-[(3,5-difluorophenyl)methyl]-6-(3-hydroxyphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 121418191
N-[7-(benzylamino)-5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 141227742
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
4-(4-ethylpiperazin-1-yl)-N-(6-phenyl-1H-indazol-3-yl)benzamide
CID 141458906
N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584379
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(spiro[2.5]octan-6-ylamino)benzamide
CID 158328882
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307
N-[6-(1-benzylpiperidin-1-ium-1-yl)oxy-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 89158415
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
4-(4-methylpiperazin-1-yl)-N-[5-[2-(2,3,5-trifluorophenyl)acetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 71654881
2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 68671892

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 137123725) is N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is Cc1cc(-c2cc3[nH]nc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)c3cc2Cc2cc(F)cc(F)c2)ccc1O.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is FVNWAYAHKFHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N5O2/c1-20-13-23(5-8-31(20)41)28-19-30-29(17-24(28)14-21-15-25(34)18-26(35)16-21)32(38-37-30)36-33(42)22-3-6-27(7-4-22)40-11-9-39(2)10-12-40/h3-8,13,15-19,41H,9-12,14H2,1-2H3,(H2,36,37,38,42).
What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 567.64 g/mol, XLogP of 6.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 137123725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).