3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one

C29H23F4N7O2 — CID 137256244

IUPAC3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2[nH]nc(-c3coc(-n4nc(-c5ccc(C(F)(F)F)cc5F)c5c(NC6CCCCC6)nccc54)c3)c12
InChIInChI=1S/C29H23F4N7O2/c30-19-13-16(29(31,32)33)6-7-18(19)26-24-21(9-11-34-27(24)36-17-4-2-1-3-5-17)40(39-26)22-12-15(14-42-22)25-23-20(37-38-25)8-10-35-28(23)41/h6-14,17H,1-5H2,(H,34,36)(H,35,41)(H,37,38)
InChIKeyAXFOGAGNUBNTOA-UHFFFAOYSA-N
MW577.54 g/mol
LogP6.81
Rot. Bonds5

About 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one

3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 137256244) has the molecular formula C29H23F4N7O2 and a molecular weight of 577.54 g/mol. Its IUPAC name is 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID137256244
Molecular FormulaC29H23F4N7O2
Molecular Weight577.54 g/mol
Exact Mass577.18
IUPAC Name3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=c1[nH]ccc2[nH]nc(-c3coc(-n4nc(-c5ccc(C(F)(F)F)cc5F)c5c(NC6CCCCC6)nccc54)c3)c12
InChIInChI=1S/C29H23F4N7O2/c30-19-13-16(29(31,32)33)6-7-18(19)26-24-21(9-11-34-27(24)36-17-4-2-1-3-5-17)40(39-26)22-12-15(14-42-22)25-23-20(37-38-25)8-10-35-28(23)41/h6-14,17H,1-5H2,(H,34,36)(H,35,41)(H,37,38)
InChIKeyAXFOGAGNUBNTOA-UHFFFAOYSA-N
XLogP6.81
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.54
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one (CID 137256244) is 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one is O=c1[nH]ccc2[nH]nc(-c3coc(-n4nc(-c5ccc(C(F)(F)F)cc5F)c5c(NC6CCCCC6)nccc54)c3)c12.
What is the InChIKey of 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is AXFOGAGNUBNTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4N7O2/c30-19-13-16(29(31,32)33)6-7-18(19)26-24-21(9-11-34-27(24)36-17-4-2-1-3-5-17)40(39-26)22-12-15(14-42-22)25-23-20(37-38-25)8-10-35-28(23)41/h6-14,17H,1-5H2,(H,34,36)(H,35,41)(H,37,38).
What are the key properties of 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one?
3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 577.54 g/mol, XLogP of 6.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(cyclohexylamino)-3-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]furan-3-yl]-1,5-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137256244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).