[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone

C23H23FN4O2 — CID 20954094

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O2/c1-30-18-7-9-19-15(14-18)2-8-20-21(19)25-26-22(20)23(29)28-12-10-27(11-13-28)17-5-3-16(24)4-6-17/h3-7,9,14H,2,8,10-13H2,1H3,(H,25,26)
InChIKeyUXRHKTWUFSLINW-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.29
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone (PubChem CID 20954094) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
PubChem CID20954094
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O2/c1-30-18-7-9-19-15(14-18)2-8-20-21(19)25-26-22(20)23(29)28-12-10-27(11-13-28)17-5-3-16(24)4-6-17/h3-7,9,14H,2,8,10-13H2,1H3,(H,25,26)
InChIKeyUXRHKTWUFSLINW-UHFFFAOYSA-N
XLogP3.29
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954136
(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
CID 46343915
6-[4-(7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 50825591
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17253405
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856445
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
N-[(4-chlorophenyl)methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954044
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
CID 91955023
1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
CID 91955128
6-[4-(4,5-dihydro-2H-benzo[g]indazole-3-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 20934592

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone (CID 20954094) is [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
The InChIKey is UXRHKTWUFSLINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-30-18-7-9-19-15(14-18)2-8-20-21(19)25-26-22(20)23(29)28-12-10-27(11-13-28)17-5-3-16(24)4-6-17/h3-7,9,14H,2,8,10-13H2,1H3,(H,25,26).
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone has a molecular weight of 406.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone is sourced from PubChem (CID 20954094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).