[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone

C20H21FN4O2 — CID 167844040

IUPAC[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1cccc2c(C(=O)N3CCNC(Cc4ccc(F)cc4)C3)n[nH]c12
InChIInChI=1S/C20H21FN4O2/c1-27-17-4-2-3-16-18(17)23-24-19(16)20(26)25-10-9-22-15(12-25)11-13-5-7-14(21)8-6-13/h2-8,15,22H,9-12H2,1H3,(H,23,24)
InChIKeyLWAPUFOHRGYFDB-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.37
Rot. Bonds4

About [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone

[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone (PubChem CID 167844040) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone
PubChem CID167844040
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone
SMILESCOc1cccc2c(C(=O)N3CCNC(Cc4ccc(F)cc4)C3)n[nH]c12
InChIInChI=1S/C20H21FN4O2/c1-27-17-4-2-3-16-18(17)23-24-19(16)20(26)25-10-9-22-15(12-25)11-13-5-7-14(21)8-6-13/h2-8,15,22H,9-12H2,1H3,(H,23,24)
InChIKeyLWAPUFOHRGYFDB-UHFFFAOYSA-N
XLogP2.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 166367952
(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82248431
[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[3-(fluoromethyl)piperazin-1-yl]methanone
CID 69491067
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
CID 167894941
(3R)-3-[2-(2,3-dimethoxyphenoxy)ethyl]piperazine-1-carboxylic acid
CID 68985329

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone?
The IUPAC name of [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone (CID 167844040) is [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone is COc1cccc2c(C(=O)N3CCNC(Cc4ccc(F)cc4)C3)n[nH]c12.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone?
The InChIKey is LWAPUFOHRGYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-27-17-4-2-3-16-18(17)23-24-19(16)20(26)25-10-9-22-15(12-25)11-13-5-7-14(21)8-6-13/h2-8,15,22H,9-12H2,1H3,(H,23,24).
What are the key properties of [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone?
[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone has a molecular weight of 368.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone is sourced from PubChem (CID 167844040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).