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

C24H21FN6O2S — CID 66760150

IUPAC1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3ncc(N)c4oc(-c5csc6ccnc(F)c56)cc34)cn2)CC1
InChIInChI=1S/C24H21FN6O2S/c1-13(32)30-6-3-15(4-7-30)31-11-14(9-29-31)22-16-8-19(33-23(16)18(26)10-28-22)17-12-34-20-2-5-27-24(25)21(17)20/h2,5,8-12,15H,3-4,6-7,26H2,1H3
InChIKeyLCBIZPYOAGLQOK-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.87
Rot. Bonds3

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

1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760150) has the molecular formula C24H21FN6O2S and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66760150
Molecular FormulaC24H21FN6O2S
Molecular Weight476.54 g/mol
Exact Mass476.14
IUPAC Name1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3ncc(N)c4oc(-c5csc6ccnc(F)c56)cc34)cn2)CC1
InChIInChI=1S/C24H21FN6O2S/c1-13(32)30-6-3-15(4-7-30)31-11-14(9-29-31)22-16-8-19(33-23(16)18(26)10-28-22)17-12-34-20-2-5-27-24(25)21(17)20/h2,5,8-12,15H,3-4,6-7,26H2,1H3
InChIKeyLCBIZPYOAGLQOK-UHFFFAOYSA-N
XLogP4.87
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-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-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760150) is 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3ncc(N)c4oc(-c5csc6ccnc(F)c56)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is LCBIZPYOAGLQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2S/c1-13(32)30-6-3-15(4-7-30)31-11-14(9-29-31)22-16-8-19(33-23(16)18(26)10-28-22)17-12-34-20-2-5-27-24(25)21(17)20/h2,5,8-12,15H,3-4,6-7,26H2,1H3.
What are the key properties of 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 476.54 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-(4-fluorothieno[3,2-c]pyridin-3-yl)furo[3,2-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).