lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline

C54H59LiN10O5 — CID 159864075

IUPAClithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline
SMILESCN1CCN(c2nn(C)c3ccc(C(=O)Nc4ccc(OCc5ccccc5)cc4)cc23)CC1.CN1CCN(c2nn(C)c3ccc(C(=O)[O-])cc23)CC1.Nc1ccc(OCc2ccccc2)cc1.[Li+]
InChIInChI=1S/C27H29N5O2.C14H18N4O2.C13H13NO.Li/c1-30-14-16-32(17-15-30)26-24-18-21(8-13-25(24)31(2)29-26)27(33)28-22-9-11-23(12-10-22)34-19-20-6-4-3-5-7-20;1-16-5-7-18(8-6-16)13-11-9-10(14(19)20)3-4-12(11)17(2)15-13;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h3-13,18H,14-17,19H2,1-2H3,(H,28,33);3-4,9H,5-8H2,1-2H3,(H,19,20);1-9H,10,14H2;/q;;;+1/p-1
InChIKeySGWBAFZSMCWEPF-UHFFFAOYSA-M
MW935.07 g/mol
LogP3.70
Rot. Bonds11

About lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline

lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline (PubChem CID 159864075) has the molecular formula C54H59LiN10O5 and a molecular weight of 935.07 g/mol. Its IUPAC name is lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline.

Molecular Properties

Compound Namelithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline
PubChem CID159864075
Molecular FormulaC54H59LiN10O5
Molecular Weight935.07 g/mol
Exact Mass934.48
IUPAC Namelithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline
SMILESCN1CCN(c2nn(C)c3ccc(C(=O)Nc4ccc(OCc5ccccc5)cc4)cc23)CC1.CN1CCN(c2nn(C)c3ccc(C(=O)[O-])cc23)CC1.Nc1ccc(OCc2ccccc2)cc1.[Li+]
InChIInChI=1S/C27H29N5O2.C14H18N4O2.C13H13NO.Li/c1-30-14-16-32(17-15-30)26-24-18-21(8-13-25(24)31(2)29-26)27(33)28-22-9-11-23(12-10-22)34-19-20-6-4-3-5-7-20;1-16-5-7-18(8-6-16)13-11-9-10(14(19)20)3-4-12(11)17(2)15-13;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h3-13,18H,14-17,19H2,1-2H3,(H,28,33);3-4,9H,5-8H2,1-2H3,(H,19,20);1-9H,10,14H2;/q;;;+1/p-1
InChIKeySGWBAFZSMCWEPF-UHFFFAOYSA-M
XLogP3.70
TPSA162.31 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.07
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline 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

lithium;methane;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine
CID 162239724
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypropyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide
CID 169020792
3-(4-Methyl-piperazin-1-yl)-1H-indazole-5-carboxylic acid (4-benzyloxy-phenyl)-amide
CID 24988745
1-Methyl-3-(4-methyl-piperazin-1-yl)-1H-indazole-5-carboxylic acid (4-benzyloxy-phenyl)-amide
CID 24988748
4-(4-methylpiperazin-1-yl)-N-[5-[(3-phenoxyphenyl)methoxy]-1H-indazol-3-yl]benzamide
CID 46244830
1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-6-carboxamide
CID 59746349
Tert-butyl 6-(1-benzylpiperidin-3-yl)oxy-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]indazole-1-carboxylate
CID 70982248
Tert-butyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-6-(4-phenoxyphenoxy)indazole-1-carboxylate
CID 70982366
3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-6-(3-phenoxy-benzyloxy)-indazole-1-carboxylic acid tert-butyl ester
CID 70982479
Tert-butyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-6-(4-phenylmethoxyphenoxy)indazole-1-carboxylate
CID 70982552
Tert-butyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-6-(2-phenoxyethoxy)indazole-1-carboxylate
CID 70983183
Tert-butyl 6-(1-benzylpiperidin-4-yl)oxy-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]indazole-1-carboxylate
CID 70983197

Frequently Asked Questions

What is the IUPAC name of lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline?
The IUPAC name of lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline (CID 159864075) is lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline.
What is the SMILES notation for lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline?
The canonical SMILES for lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline is CN1CCN(c2nn(C)c3ccc(C(=O)Nc4ccc(OCc5ccccc5)cc4)cc23)CC1.CN1CCN(c2nn(C)c3ccc(C(=O)[O-])cc23)CC1.Nc1ccc(OCc2ccccc2)cc1.[Li+].
What is the InChIKey of lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline?
The InChIKey is SGWBAFZSMCWEPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H29N5O2.C14H18N4O2.C13H13NO.Li/c1-30-14-16-32(17-15-30)26-24-18-21(8-13-25(24)31(2)29-26)27(33)28-22-9-11-23(12-10-22)34-19-20-6-4-3-5-7-20;1-16-5-7-18(8-6-16)13-11-9-10(14(19)20)3-4-12(11)17(2)15-13;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h3-13,18H,14-17,19H2,1-2H3,(H,28,33);3-4,9H,5-8H2,1-2H3,(H,19,20);1-9H,10,14H2;/q;;;+1/p-1.
What are the key properties of lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline?
lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline has a molecular weight of 935.07 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)indazole-5-carboxamide;4-phenylmethoxyaniline is sourced from PubChem (CID 159864075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).