1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C24H22F3N5O2 — CID 66760663

IUPAC1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(F)(F)F)c5)cc34)cn2)CC1
InChIInChI=1S/C24H22F3N5O2/c1-14(33)31-7-5-18(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-17(9-15)24(25,26)27/h2-4,9-13,18H,5-8H2,1H3,(H2,28,29)
InChIKeyLGKUGYDKPIMGGF-UHFFFAOYSA-N
MW469.47 g/mol
LogP5.14
Rot. Bonds3

About 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760663) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66760663
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(F)(F)F)c5)cc34)cn2)CC1
InChIInChI=1S/C24H22F3N5O2/c1-14(33)31-7-5-18(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-17(9-15)24(25,26)27/h2-4,9-13,18H,5-8H2,1H3,(H2,28,29)
InChIKeyLGKUGYDKPIMGGF-UHFFFAOYSA-N
XLogP5.14
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760663) is 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(F)(F)F)c5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is LGKUGYDKPIMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-14(33)31-7-5-18(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-17(9-15)24(25,26)27/h2-4,9-13,18H,5-8H2,1H3,(H2,28,29).
What are the key properties of 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 469.47 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-[3-(trifluoromethyl)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).