4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid

C18H12F3N3O3 — CID 164907410

IUPAC4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid
SMILESCc1cc2oc(C(=O)O)c(C(F)(F)F)c2c2nn(Cc3ccccn3)cc12
InChIInChI=1S/C18H12F3N3O3/c1-9-6-12-13(14(18(19,20)21)16(27-12)17(25)26)15-11(9)8-24(23-15)7-10-4-2-3-5-22-10/h2-6,8H,7H2,1H3,(H,25,26)
InChIKeyKVYYVOAMRSRPQD-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.25
Rot. Bonds3

About 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid

4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid (PubChem CID 164907410) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid
PubChem CID164907410
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Name4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid
SMILESCc1cc2oc(C(=O)O)c(C(F)(F)F)c2c2nn(Cc3ccccn3)cc12
InChIInChI=1S/C18H12F3N3O3/c1-9-6-12-13(14(18(19,20)21)16(27-12)17(25)26)15-11(9)8-24(23-15)7-10-4-2-3-5-22-10/h2-6,8H,7H2,1H3,(H,25,26)
InChIKeyKVYYVOAMRSRPQD-UHFFFAOYSA-N
XLogP4.25
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid with MolForge

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Related Compounds

ethyl 2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylate
CID 164907417
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 171785766
2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
CID 156810321
[4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-7-yl]methanediol
CID 156517153
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
1-[[3,5-dimethyl-4-(pyridin-2-ylmethyl)phenyl]methyl]pyrazole-4-carboxylic acid
CID 171090685
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23739584
[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 19616975
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769
[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane
CID 170149782
2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(pyrimidin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
CID 164907408

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid?
The IUPAC name of 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid (CID 164907410) is 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid?
The canonical SMILES for 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid is Cc1cc2oc(C(=O)O)c(C(F)(F)F)c2c2nn(Cc3ccccn3)cc12.
What is the InChIKey of 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid?
The InChIKey is KVYYVOAMRSRPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c1-9-6-12-13(14(18(19,20)21)16(27-12)17(25)26)15-11(9)8-24(23-15)7-10-4-2-3-5-22-10/h2-6,8H,7H2,1H3,(H,25,26).
What are the key properties of 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid?
4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid has a molecular weight of 375.31 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid is sourced from PubChem (CID 164907410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).