4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile

C23H15F3N4O2 — CID 66725367

IUPAC4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile
SMILESCc1[nH]nc2ccc(C3C(C#N)=C(c4ccc(C(F)(F)F)cc4)NC4=C3C(=O)OC4)cc12
InChIInChI=1S/C23H15F3N4O2/c1-11-15-8-13(4-7-17(15)30-29-11)19-16(9-27)21(28-18-10-32-22(31)20(18)19)12-2-5-14(6-3-12)23(24,25)26/h2-8,19,28H,10H2,1H3,(H,29,30)
InChIKeyLPMOCKMNRPDTRZ-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.32
Rot. Bonds2

About 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile

4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile (PubChem CID 66725367) has the molecular formula C23H15F3N4O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile
PubChem CID66725367
Molecular FormulaC23H15F3N4O2
Molecular Weight436.39 g/mol
Exact Mass436.11
IUPAC Name4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile
SMILESCc1[nH]nc2ccc(C3C(C#N)=C(c4ccc(C(F)(F)F)cc4)NC4=C3C(=O)OC4)cc12
InChIInChI=1S/C23H15F3N4O2/c1-11-15-8-13(4-7-17(15)30-29-11)19-16(9-27)21(28-18-10-32-22(31)20(18)19)12-2-5-14(6-3-12)23(24,25)26/h2-8,19,28H,10H2,1H3,(H,29,30)
InChIKeyLPMOCKMNRPDTRZ-UHFFFAOYSA-N
XLogP4.32
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile (CID 66725367) is 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile is Cc1[nH]nc2ccc(C3C(C#N)=C(c4ccc(C(F)(F)F)cc4)NC4=C3C(=O)OC4)cc12.
What is the InChIKey of 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is LPMOCKMNRPDTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O2/c1-11-15-8-13(4-7-17(15)30-29-11)19-16(9-27)21(28-18-10-32-22(31)20(18)19)12-2-5-14(6-3-12)23(24,25)26/h2-8,19,28H,10H2,1H3,(H,29,30).
What are the key properties of 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile?
4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 436.39 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-indazol-5-yl)-5-oxo-2-[4-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 66725367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).