(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone

C25H28N4O2 — CID 154840100

IUPAC(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone
SMILESCc1cc(C)c2c(c1)CN(C(=O)C1CCCN(C(=O)c3ccc4[nH]ncc4c3)C1)CC2
InChIInChI=1S/C25H28N4O2/c1-16-10-17(2)22-7-9-29(15-21(22)11-16)25(31)19-4-3-8-28(14-19)24(30)18-5-6-23-20(12-18)13-26-27-23/h5-6,10-13,19H,3-4,7-9,14-15H2,1-2H3,(H,26,27)
InChIKeyLSWVVILIMWJMER-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.62
Rot. Bonds2

About (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone

(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 154840100) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone
PubChem CID154840100
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone
SMILESCc1cc(C)c2c(c1)CN(C(=O)C1CCCN(C(=O)c3ccc4[nH]ncc4c3)C1)CC2
InChIInChI=1S/C25H28N4O2/c1-16-10-17(2)22-7-9-29(15-21(22)11-16)25(31)19-4-3-8-28(14-19)24(30)18-5-6-23-20(12-18)13-26-27-23/h5-6,10-13,19H,3-4,7-9,14-15H2,1-2H3,(H,26,27)
InChIKeyLSWVVILIMWJMER-UHFFFAOYSA-N
XLogP3.62
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692
[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 93084212
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 167885425
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 154839752
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154833498
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 176799648
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 119173997

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone (CID 154840100) is (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone is Cc1cc(C)c2c(c1)CN(C(=O)C1CCCN(C(=O)c3ccc4[nH]ncc4c3)C1)CC2.
What is the InChIKey of (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is LSWVVILIMWJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-16-10-17(2)22-7-9-29(15-21(22)11-16)25(31)19-4-3-8-28(14-19)24(30)18-5-6-23-20(12-18)13-26-27-23/h5-6,10-13,19H,3-4,7-9,14-15H2,1-2H3,(H,26,27).
What are the key properties of (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone?
(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 154840100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).