methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate

C20H19F2N3O3 — CID 167351144

IUPACmethyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(C3CCCCO3)c3cc(F)c(F)cc23)nc1C
InChIInChI=1S/C20H19F2N3O3/c1-11-12(20(26)27-2)6-7-16(23-11)19-13-9-14(21)15(22)10-17(13)25(24-19)18-5-3-4-8-28-18/h6-7,9-10,18H,3-5,8H2,1-2H3
InChIKeyPVDRYZCHDMNPEB-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.17
Rot. Bonds3

About methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate

methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate (PubChem CID 167351144) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate
PubChem CID167351144
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Namemethyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(C3CCCCO3)c3cc(F)c(F)cc23)nc1C
InChIInChI=1S/C20H19F2N3O3/c1-11-12(20(26)27-2)6-7-16(23-11)19-13-9-14(21)15(22)10-17(13)25(24-19)18-5-3-4-8-28-18/h6-7,9-10,18H,3-5,8H2,1-2H3
InChIKeyPVDRYZCHDMNPEB-UHFFFAOYSA-N
XLogP4.17
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methyl-3-pyridinyl]-N-methylcarbamate
CID 167351106
6-[5,6-difluoro-1-(1,3-oxazolidin-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxamide
CID 175417668
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-3-yl]boronic acid
CID 167350869
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
methyl 3-bromo-8-fluoro-6-(oxan-2-yl)thieno[2,3-e]indazole-2-carboxylate
CID 168931532
2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
CID 166835900
methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate
CID 129166208
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
methyl 5-(2-fluoroprop-2-enoylamino)-1-(oxan-2-yl)indazole-3-carboxylate
CID 166417591
methyl 2-fluoro-4-(oxan-2-yloxy)benzoate
CID 167443714
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133421229

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate (CID 167351144) is methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(-c2nn(C3CCCCO3)c3cc(F)c(F)cc23)nc1C.
What is the InChIKey of methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate?
The InChIKey is PVDRYZCHDMNPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-11-12(20(26)27-2)6-7-16(23-11)19-13-9-14(21)15(22)10-17(13)25(24-19)18-5-3-4-8-28-18/h6-7,9-10,18H,3-5,8H2,1-2H3.
What are the key properties of methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate?
methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5,6-difluoro-1-(oxan-2-yl)indazol-3-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 167351144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).