[(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C26H32N4O2 — CID 26223856

IUPAC[(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc2ccccc2c1CN[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1
InChIInChI=1S/C26H32N4O2/c1-29-23-12-11-19(16-21(23)25(28-29)26(31)30-14-6-3-7-15-30)27-17-22-20-9-5-4-8-18(20)10-13-24(22)32-2/h4-5,8-10,13,19,27H,3,6-7,11-12,14-17H2,1-2H3/t19-/m1/s1
InChIKeyJEJXSOHTWDEFPG-LJQANCHMSA-N
MW432.57 g/mol
LogP3.86
Rot. Bonds5

About [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 26223856) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID26223856
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc2ccccc2c1CN[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1
InChIInChI=1S/C26H32N4O2/c1-29-23-12-11-19(16-21(23)25(28-29)26(31)30-14-6-3-7-15-30)27-17-22-20-9-5-4-8-18(20)10-13-24(22)32-2/h4-5,8-10,13,19,27H,3,6-7,11-12,14-17H2,1-2H3/t19-/m1/s1
InChIKeyJEJXSOHTWDEFPG-LJQANCHMSA-N
XLogP3.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164567
[(5R)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26141742
azepan-1-yl-[(5S)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26143098
[5-[(2,6-difluorophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45161357
[1-methyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 122684082
azepan-1-yl-[1-methyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45161970
[(5S)-1-methyl-5-[(1-piperidin-1-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51656926
3,4-dihydro-1H-isoquinolin-2-yl-[(5R)-1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26215160
3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45165339
[5-[(2-methoxyphenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45165411
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
azepan-1-yl-[1-ethyl-5-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45165322

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 26223856) is [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is COc1ccc2ccccc2c1CN[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1.
What is the InChIKey of [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is JEJXSOHTWDEFPG-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-29-23-12-11-19(16-21(23)25(28-29)26(31)30-14-6-3-7-15-30)27-17-22-20-9-5-4-8-18(20)10-13-24(22)32-2/h4-5,8-10,13,19,27H,3,6-7,11-12,14-17H2,1-2H3/t19-/m1/s1.
What are the key properties of [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 432.57 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 26223856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).