[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate

C27H27N3O5 — CID 174590959

IUPAC[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)(C)COC(=O)c3n[nH]c4ccccc34)c2)cc1OC
InChIInChI=1S/C27H27N3O5/c1-27(2,16-35-26(32)24-20-10-5-6-11-21(20)29-30-24)18-8-7-9-19(15-18)28-25(31)17-12-13-22(33-3)23(14-17)34-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyUJMWMSPCDDSFRF-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.97
Rot. Bonds8

About [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate

[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate (PubChem CID 174590959) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
PubChem CID174590959
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)(C)COC(=O)c3n[nH]c4ccccc34)c2)cc1OC
InChIInChI=1S/C27H27N3O5/c1-27(2,16-35-26(32)24-20-10-5-6-11-21(20)29-30-24)18-8-7-9-19(15-18)28-25(31)17-12-13-22(33-3)23(14-17)34-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyUJMWMSPCDDSFRF-UHFFFAOYSA-N
XLogP4.97
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 25103426
N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 67545489
N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 161116997
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2636122
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate
CID 174590993
ethyl 6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46235932
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate
CID 174590894
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate (CID 174590959) is [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate is COc1ccc(C(=O)Nc2cccc(C(C)(C)COC(=O)c3n[nH]c4ccccc34)c2)cc1OC.
What is the InChIKey of [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate?
The InChIKey is UJMWMSPCDDSFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-27(2,16-35-26(32)24-20-10-5-6-11-21(20)29-30-24)18-8-7-9-19(15-18)28-25(31)17-12-13-22(33-3)23(14-17)34-4/h5-15H,16H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate?
[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 174590959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).