[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

C22H24N4O — CID 56913865

IUPAC[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H24N4O/c27-22(21-19-7-3-4-8-20(19)23-24-21)25-13-10-18(11-14-25)26-12-9-16-5-1-2-6-17(16)15-26/h1-8,18H,9-15H2,(H,23,24)
InChIKeyUVUGVPDXBJWVKH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.23
Rot. Bonds2

About [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 56913865) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID56913865
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H24N4O/c27-22(21-19-7-3-4-8-20(19)23-24-21)25-13-10-18(11-14-25)26-12-9-16-5-1-2-6-17(16)15-26/h1-8,18H,9-15H2,(H,23,24)
InChIKeyUVUGVPDXBJWVKH-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56910846
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 71912055
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632111
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 128883127
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 146086866

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 56913865) is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC(N2CCc3ccccc3C2)CC1.
What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is UVUGVPDXBJWVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-19-7-3-4-8-20(19)23-24-21)25-13-10-18(11-14-25)26-12-9-16-5-1-2-6-17(16)15-26/h1-8,18H,9-15H2,(H,23,24).
What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 56913865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).