[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

C19H17F2N3O5 — CID 9288266

IUPAC[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOc1cc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O5/c1-27-15-8-11(6-7-14(15)29-19(20)21)9-22-16(25)10-28-18(26)17-12-4-2-3-5-13(12)23-24-17/h2-8,19H,9-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyMVAPKHWJXUJRNB-UHFFFAOYSA-N
MW405.36 g/mol
LogP2.65
Rot. Bonds8

About [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 9288266) has the molecular formula C19H17F2N3O5 and a molecular weight of 405.36 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID9288266
Molecular FormulaC19H17F2N3O5
Molecular Weight405.36 g/mol
Exact Mass405.11
IUPAC Name[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOc1cc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O5/c1-27-15-8-11(6-7-14(15)29-19(20)21)9-22-16(25)10-28-18(26)17-12-4-2-3-5-13(12)23-24-17/h2-8,19H,9-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyMVAPKHWJXUJRNB-UHFFFAOYSA-N
XLogP2.65
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641677
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 4792568
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213414
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534537
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] adamantane-2-carboxylate
CID 9339490
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199439

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 9288266) is [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is COc1cc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)ccc1OC(F)F.
What is the InChIKey of [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is MVAPKHWJXUJRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O5/c1-27-15-8-11(6-7-14(15)29-19(20)21)9-22-16(25)10-28-18(26)17-12-4-2-3-5-13(12)23-24-17/h2-8,19H,9-10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 405.36 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 9288266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).