N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide

C25H32FN5O2 — CID 75158892

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCC1C(C(=O)NCCN3CCN(c4ccccc4F)CC3)NNC21
InChIInChI=1S/C25H32FN5O2/c1-33-18-7-9-19-17(16-18)6-8-20-23(19)28-29-24(20)25(32)27-10-11-30-12-14-31(15-13-30)22-5-3-2-4-21(22)26/h2-5,7,9,16,20,23-24,28-29H,6,8,10-15H2,1H3,(H,27,32)
InChIKeyAJWCVTALIGASHT-UHFFFAOYSA-N
MW453.56 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide (PubChem CID 75158892) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide
PubChem CID75158892
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCC1C(C(=O)NCCN3CCN(c4ccccc4F)CC3)NNC21
InChIInChI=1S/C25H32FN5O2/c1-33-18-7-9-19-17(16-18)6-8-20-23(19)28-29-24(20)25(32)27-10-11-30-12-14-31(15-13-30)22-5-3-2-4-21(22)26/h2-5,7,9,16,20,23-24,28-29H,6,8,10-15H2,1H3,(H,27,32)
InChIKeyAJWCVTALIGASHT-UHFFFAOYSA-N
XLogP1.85
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-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

Related Compounds

N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
7-methoxy-N-(2-methoxy-4-nitrophenyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide
CID 75158887
4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42267156
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
2,3-diethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 46248443
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856297
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-[2-(4-methoxyphenyl)-2-oxoethyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 91263108
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide (CID 75158892) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide is COc1ccc2c(c1)CCC1C(C(=O)NCCN3CCN(c4ccccc4F)CC3)NNC21.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide?
The InChIKey is AJWCVTALIGASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2/c1-33-18-7-9-19-17(16-18)6-8-20-23(19)28-29-24(20)25(32)27-10-11-30-12-14-31(15-13-30)22-5-3-2-4-21(22)26/h2-5,7,9,16,20,23-24,28-29H,6,8,10-15H2,1H3,(H,27,32).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 75158892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).