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

C24H22F3N5O3 — CID 53378696

IUPAC1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(OC(F)(F)F)c5)cc34)cn2)CC1
InChIInChI=1S/C24H22F3N5O3/c1-14(33)31-7-5-17(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-18(9-15)35-24(25,26)27/h2-4,9-13,17H,5-8H2,1H3,(H2,28,29)
InChIKeyALKXEXMOHJKHON-UHFFFAOYSA-N
MW485.47 g/mol
LogP5.02
Rot. Bonds4

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

1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 53378696) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID53378696
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(OC(F)(F)F)c5)cc34)cn2)CC1
InChIInChI=1S/C24H22F3N5O3/c1-14(33)31-7-5-17(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-18(9-15)35-24(25,26)27/h2-4,9-13,17H,5-8H2,1H3,(H2,28,29)
InChIKeyALKXEXMOHJKHON-UHFFFAOYSA-N
XLogP5.02
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 53378696) is 1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)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-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(OC(F)(F)F)c5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is ALKXEXMOHJKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c1-14(33)31-7-5-17(6-8-31)32-13-16(11-30-32)20-12-29-23(28)22-19(20)10-21(34-22)15-3-2-4-18(9-15)35-24(25,26)27/h2-4,9-13,17H,5-8H2,1H3,(H2,28,29).
What are the key properties of 1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 485.47 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-[3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53378696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).