[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

C20H20FN3O — CID 70742188

IUPAC[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCCCC3c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H20FN3O/c1-13-5-10-17-16(12-13)19(23-22-17)20(25)24-11-3-2-4-18(24)14-6-8-15(21)9-7-14/h5-10,12,18H,2-4,11H2,1H3,(H,22,23)
InChIKeyYYZJQHBXGFGYBW-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.38
Rot. Bonds2

About [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone

[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (PubChem CID 70742188) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
PubChem CID70742188
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCCCC3c3ccc(F)cc3)c2c1
InChIInChI=1S/C20H20FN3O/c1-13-5-10-17-16(12-13)19(23-22-17)20(25)24-11-3-2-4-18(24)14-6-8-15(21)9-7-14/h5-10,12,18H,2-4,11H2,1H3,(H,22,23)
InChIKeyYYZJQHBXGFGYBW-UHFFFAOYSA-N
XLogP4.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124693208
[(2S)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 92617846
[(2S)-2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 92617844
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
(5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835838
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (CID 70742188) is [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is Cc1ccc2[nH]nc(C(=O)N3CCCCC3c3ccc(F)cc3)c2c1.
What is the InChIKey of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The InChIKey is YYZJQHBXGFGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13-5-10-17-16(12-13)19(23-22-17)20(25)24-11-3-2-4-18(24)14-6-8-15(21)9-7-14/h5-10,12,18H,2-4,11H2,1H3,(H,22,23).
What are the key properties of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone has a molecular weight of 337.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is sourced from PubChem (CID 70742188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).