(3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone

C22H26N4O — CID 46955947

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)n(C)n1
InChIInChI=1S/C22H26N4O/c1-4-18-12-21(25(3)24-18)22(27)26-10-8-16(9-11-26)20-13-19-15(2)6-5-7-17(19)14-23-20/h5-7,12-14,16H,4,8-11H2,1-3H3
InChIKeyBACDISLXBHQJLO-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.86
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone

(3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone (PubChem CID 46955947) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
PubChem CID46955947
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)n(C)n1
InChIInChI=1S/C22H26N4O/c1-4-18-12-21(25(3)24-18)22(27)26-10-8-16(9-11-26)20-13-19-15(2)6-5-7-17(19)14-23-20/h5-7,12-14,16H,4,8-11H2,1-3H3
InChIKeyBACDISLXBHQJLO-UHFFFAOYSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 46957568
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 45190133
(3-ethyl-1,2-oxazol-5-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
CID 92589094
1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 154741187
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114801021
(3-ethyl-1-methylpyrazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 66120759
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
CID 92588223
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone (CID 46955947) is (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
The InChIKey is BACDISLXBHQJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-18-12-21(25(3)24-18)22(27)26-10-8-16(9-11-26)20-13-19-15(2)6-5-7-17(19)14-23-20/h5-7,12-14,16H,4,8-11H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
(3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-[4-(5-methylisoquinolin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46955947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).