1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

C22H24N4O — CID 95706821

IUPAC1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H24N4O/c27-22(21-19-7-3-4-8-20(19)23-24-21)26-13-11-25(12-14-26)18-10-9-16-5-1-2-6-17(16)15-18/h1-8,18H,9-15H2,(H,23,24)/t18-/m0/s1
InChIKeyPVQAPGFJKQJXQL-SFHVURJKSA-N
MW360.46 g/mol
LogP2.88
Rot. Bonds2

About 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (PubChem CID 95706821) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
PubChem CID95706821
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H24N4O/c27-22(21-19-7-3-4-8-20(19)23-24-21)26-13-11-25(12-14-26)18-10-9-16-5-1-2-6-17(16)15-18/h1-8,18H,9-15H2,(H,23,24)/t18-/m0/s1
InChIKeyPVQAPGFJKQJXQL-SFHVURJKSA-N
XLogP2.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31909611
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95727435
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indazol-3-yl)methanone
CID 72843968
1-[4-[(4S,5S)-5-hydroxy-1-(1H-indazole-3-carbonyl)azepan-4-yl]piperazin-1-yl]ethanone
CID 110158896
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (CID 95706821) is 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCN([C@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The InChIKey is PVQAPGFJKQJXQL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-19-7-3-4-8-20(19)23-24-21)26-13-11-25(12-14-26)18-10-9-16-5-1-2-6-17(16)15-18/h1-8,18H,9-15H2,(H,23,24)/t18-/m0/s1.
What are the key properties of 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95706821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).