tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate

C20H22N4O4 — CID 70068484

IUPACtert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate
SMILESCOc1cccc(C(=O)Nc2ccc3c(C(=O)OC(C)(C)C)n[nH]c3c2)c1N
InChIInChI=1S/C20H22N4O4/c1-20(2,3)28-19(26)17-12-9-8-11(10-14(12)23-24-17)22-18(25)13-6-5-7-15(27-4)16(13)21/h5-10H,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyJWGAISFOWVOLFD-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.36
Rot. Bonds4

About tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate

tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate (PubChem CID 70068484) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate
PubChem CID70068484
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nametert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate
SMILESCOc1cccc(C(=O)Nc2ccc3c(C(=O)OC(C)(C)C)n[nH]c3c2)c1N
InChIInChI=1S/C20H22N4O4/c1-20(2,3)28-19(26)17-12-9-8-11(10-14(12)23-24-17)22-18(25)13-6-5-7-15(27-4)16(13)21/h5-10H,21H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyJWGAISFOWVOLFD-UHFFFAOYSA-N
XLogP3.36
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 6-[[2-[(4-tert-butylbenzoyl)amino]-4-nitrobenzoyl]amino]-1H-indazole-3-carboxylate
CID 70067994
5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808
2-amino-3-methoxy-N-thiophen-3-ylbenzamide
CID 66352284
[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
CID 174590959
2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616207
N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide
CID 126695974
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane
CID 91562897
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
methyl 3-carbamoyl-1H-indazole-6-carboxylate
CID 166522746

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate?
The IUPAC name of tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate (CID 70068484) is tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate is COc1cccc(C(=O)Nc2ccc3c(C(=O)OC(C)(C)C)n[nH]c3c2)c1N.
What is the InChIKey of tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate?
The InChIKey is JWGAISFOWVOLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-20(2,3)28-19(26)17-12-9-8-11(10-14(12)23-24-17)22-18(25)13-6-5-7-15(27-4)16(13)21/h5-10H,21H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate?
tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-amino-3-methoxybenzoyl)amino]-1H-indazole-3-carboxylate is sourced from PubChem (CID 70068484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).