N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide

C18H17F2N3O2 — CID 91795003

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide
SMILESCOc1cc(F)c(C(=O)NCc2nn(C)c3ccc(C)cc23)c(F)c1
InChIInChI=1S/C18H17F2N3O2/c1-10-4-5-16-12(6-10)15(22-23(16)2)9-21-18(24)17-13(19)7-11(25-3)8-14(17)20/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyGVMWYGUCMQDSKM-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.10
Rot. Bonds4

About N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide

N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide (PubChem CID 91795003) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide
PubChem CID91795003
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide
SMILESCOc1cc(F)c(C(=O)NCc2nn(C)c3ccc(C)cc23)c(F)c1
InChIInChI=1S/C18H17F2N3O2/c1-10-4-5-16-12(6-10)15(22-23(16)2)9-21-18(24)17-13(19)7-11(25-3)8-14(17)20/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyGVMWYGUCMQDSKM-UHFFFAOYSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157017185
N-[(1,5-dimethylindazol-3-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122558835
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
1-(cyclopropanecarbonyl)-N-[(1,5-dimethylindazol-3-yl)methyl]piperidine-4-carboxamide
CID 72852922
N-[(1,5-dimethylindazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91782573
(3S)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97187456
N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 122563829
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(1,5-dimethylindazol-3-yl)methyl]acetamide
CID 91785917
2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70706243
N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125176476
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775694
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide (CID 91795003) is N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide is COc1cc(F)c(C(=O)NCc2nn(C)c3ccc(C)cc23)c(F)c1.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide?
The InChIKey is GVMWYGUCMQDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-10-4-5-16-12(6-10)15(22-23(16)2)9-21-18(24)17-13(19)7-11(25-3)8-14(17)20/h4-8H,9H2,1-3H3,(H,21,24).
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide?
N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide has a molecular weight of 345.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide is sourced from PubChem (CID 91795003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).