1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C25H14F6N6O6 — CID 160517293

IUPAC1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cc2nccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2o1.O=C(O)c1cnn(-c2ccnc3ccoc23)c1C(F)(F)F
InChIInChI=1S/C13H8F3N3O3.C12H6F3N3O3/c1-6-4-8-10(22-6)9(2-3-17-8)19-11(13(14,15)16)7(5-18-19)12(20)21;13-12(14,15)10-6(11(19)20)5-17-18(10)8-1-3-16-7-2-4-21-9(7)8/h2-5H,1H3,(H,20,21);1-5H,(H,19,20)
InChIKeyQTUWWHPBBIFLDQ-UHFFFAOYSA-N
MW608.41 g/mol
LogP5.77
Rot. Bonds4

About 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 160517293) has the molecular formula C25H14F6N6O6 and a molecular weight of 608.41 g/mol. Its IUPAC name is 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID160517293
Molecular FormulaC25H14F6N6O6
Molecular Weight608.41 g/mol
Exact Mass608.09
IUPAC Name1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cc2nccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2o1.O=C(O)c1cnn(-c2ccnc3ccoc23)c1C(F)(F)F
InChIInChI=1S/C13H8F3N3O3.C12H6F3N3O3/c1-6-4-8-10(22-6)9(2-3-17-8)19-11(13(14,15)16)7(5-18-19)12(20)21;13-12(14,15)10-6(11(19)20)5-17-18(10)8-1-3-16-7-2-4-21-9(7)8/h2-5H,1H3,(H,20,21);1-5H,(H,19,20)
InChIKeyQTUWWHPBBIFLDQ-UHFFFAOYSA-N
XLogP5.77
TPSA162.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.41
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid with MolForge

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Related Compounds

1-(1-benzofuran-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 134610277
1-(4,5-dichloro-2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163322133
5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 11142236
1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 166545510
1-(2-nitro-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 176658745
1-[1-(2-methoxy-3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 157185580
1-[4-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 166545504
1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285397
1-(3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175112533
1-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285567
1-[2-(3,4-dichlorophenyl)pyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 42624074

Frequently Asked Questions

What is the IUPAC name of 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 160517293) is 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1cc2nccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2o1.O=C(O)c1cnn(-c2ccnc3ccoc23)c1C(F)(F)F.
What is the InChIKey of 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is QTUWWHPBBIFLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O3.C12H6F3N3O3/c1-6-4-8-10(22-6)9(2-3-17-8)19-11(13(14,15)16)7(5-18-19)12(20)21;13-12(14,15)10-6(11(19)20)5-17-18(10)8-1-3-16-7-2-4-21-9(7)8/h2-5H,1H3,(H,20,21);1-5H,(H,19,20).
What are the key properties of 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 608.41 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-furo[3,2-b]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-(2-methylfuro[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 160517293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).