N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide

C28H23F2N5O — CID 10345195

IUPACN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C28H23F2N5O/c1-2-24(36)32-15-16-35-17-23-25(18-3-7-21(29)8-4-18)26(19-11-13-31-14-12-19)27(33-28(23)34-35)20-5-9-22(30)10-6-20/h3-14,17H,2,15-16H2,1H3,(H,32,36)
InChIKeyNPUCJMCTCKQJNU-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.63
Rot. Bonds7

About N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide

N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide (PubChem CID 10345195) has the molecular formula C28H23F2N5O and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide
PubChem CID10345195
Molecular FormulaC28H23F2N5O
Molecular Weight483.52 g/mol
Exact Mass483.19
IUPAC NameN-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C28H23F2N5O/c1-2-24(36)32-15-16-35-17-23-25(18-3-7-21(29)8-4-18)26(19-11-13-31-14-12-19)27(33-28(23)34-35)20-5-9-22(30)10-6-20/h3-14,17H,2,15-16H2,1H3,(H,32,36)
InChIKeyNPUCJMCTCKQJNU-UHFFFAOYSA-N
XLogP5.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide 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 N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide (CID 10345195) is N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide is CCC(=O)NCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide?
The InChIKey is NPUCJMCTCKQJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O/c1-2-24(36)32-15-16-35-17-23-25(18-3-7-21(29)8-4-18)26(19-11-13-31-14-12-19)27(33-28(23)34-35)20-5-9-22(30)10-6-20/h3-14,17H,2,15-16H2,1H3,(H,32,36).
What are the key properties of N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide?
N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide has a molecular weight of 483.52 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]propanamide is sourced from PubChem (CID 10345195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).