[4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C23H19ClFN5O3 — CID 18583513

IUPAC[4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)c12
InChIInChI=1S/C23H19ClFN5O3/c1-14-19-20(24)17(13-26-21(19)30(27-14)16-6-4-15(25)5-7-16)22(31)28-8-10-29(11-9-28)23(32)18-3-2-12-33-18/h2-7,12-13H,8-11H2,1H3
InChIKeyPVCHLGYZMGZDHB-UHFFFAOYSA-N
MW467.89 g/mol
LogP3.71
Rot. Bonds3

About [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 18583513) has the molecular formula C23H19ClFN5O3 and a molecular weight of 467.89 g/mol. Its IUPAC name is [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID18583513
Molecular FormulaC23H19ClFN5O3
Molecular Weight467.89 g/mol
Exact Mass467.12
IUPAC Name[4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)c12
InChIInChI=1S/C23H19ClFN5O3/c1-14-19-20(24)17(13-26-21(19)30(27-14)16-6-4-15(25)5-7-16)22(31)28-8-10-29(11-9-28)23(32)18-3-2-12-33-18/h2-7,12-13H,8-11H2,1H3
InChIKeyPVCHLGYZMGZDHB-UHFFFAOYSA-N
XLogP3.71
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.89
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone 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 [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 18583513) is [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)c12.
What is the InChIKey of [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PVCHLGYZMGZDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O3/c1-14-19-20(24)17(13-26-21(19)30(27-14)16-6-4-15(25)5-7-16)22(31)28-8-10-29(11-9-28)23(32)18-3-2-12-33-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 467.89 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 18583513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).