N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C26H30FN5O — CID 17468069

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1
InChIInChI=1S/C26H30FN5O/c1-2-30-15-17-31(18-16-30)24-10-6-4-8-22(24)28-26(33)25-21-7-3-5-9-23(21)32(29-25)20-13-11-19(27)12-14-20/h4,6,8,10-14H,2-3,5,7,9,15-18H2,1H3,(H,28,33)
InChIKeyRTQPFSSFQQWBRJ-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 17468069) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID17468069
Molecular FormulaC26H30FN5O
Molecular Weight447.56 g/mol
Exact Mass447.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1
InChIInChI=1S/C26H30FN5O/c1-2-30-15-17-31(18-16-30)24-10-6-4-8-22(24)28-26(33)25-21-7-3-5-9-23(21)32(29-25)20-13-11-19(27)12-14-20/h4,6,8,10-14H,2-3,5,7,9,15-18H2,1H3,(H,28,33)
InChIKeyRTQPFSSFQQWBRJ-UHFFFAOYSA-N
XLogP4.28
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-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-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 17468069) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is RTQPFSSFQQWBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c1-2-30-15-17-31(18-16-30)24-10-6-4-8-22(24)28-26(33)25-21-7-3-5-9-23(21)32(29-25)20-13-11-19(27)12-14-20/h4,6,8,10-14H,2-3,5,7,9,15-18H2,1H3,(H,28,33).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 17468069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).