N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C30H27FN8O3 — CID 118182572

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(C(=O)c6ccccc6)CC5)cc4c3)ccc2F)cn1
InChIInChI=1S/C30H27FN8O3/c1-36-17-22(16-32-36)28-24(31)8-10-26(34-28)29(41)33-23-7-9-25-21(15-23)18-39(35-25)19-27(40)37-11-13-38(14-12-37)30(42)20-5-3-2-4-6-20/h2-10,15-18H,11-14,19H2,1H3,(H,33,41)
InChIKeyQTSVWBUATBOWPW-UHFFFAOYSA-N
MW566.60 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118182572) has the molecular formula C30H27FN8O3 and a molecular weight of 566.60 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118182572
Molecular FormulaC30H27FN8O3
Molecular Weight566.60 g/mol
Exact Mass566.22
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(C(=O)c6ccccc6)CC5)cc4c3)ccc2F)cn1
InChIInChI=1S/C30H27FN8O3/c1-36-17-22(16-32-36)28-24(31)8-10-26(34-28)29(41)33-23-7-9-25-21(15-23)18-39(35-25)19-27(40)37-11-13-38(14-12-37)30(42)20-5-3-2-4-6-20/h2-10,15-18H,11-14,19H2,1H3,(H,33,41)
InChIKeyQTSVWBUATBOWPW-UHFFFAOYSA-N
XLogP3.21
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.60
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide 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-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118182572) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2nc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(C(=O)c6ccccc6)CC5)cc4c3)ccc2F)cn1.
What is the InChIKey of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is QTSVWBUATBOWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN8O3/c1-36-17-22(16-32-36)28-24(31)8-10-26(34-28)29(41)33-23-7-9-25-21(15-23)18-39(35-25)19-27(40)37-11-13-38(14-12-37)30(42)20-5-3-2-4-6-20/h2-10,15-18H,11-14,19H2,1H3,(H,33,41).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 566.60 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118182572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).