(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone

C17H21N3O2 — CID 128716620

IUPAC(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(C3CCC3)C2)c2[nH]ncc2c1
InChIInChI=1S/C17H21N3O2/c1-11-7-13-9-18-19-16(13)14(8-11)17(21)20-5-6-22-15(10-20)12-3-2-4-12/h7-9,12,15H,2-6,10H2,1H3,(H,18,19)
InChIKeyLBDIKYGZTSGNSX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds2

About (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone

(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone (PubChem CID 128716620) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
PubChem CID128716620
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(C3CCC3)C2)c2[nH]ncc2c1
InChIInChI=1S/C17H21N3O2/c1-11-7-13-9-18-19-16(13)14(8-11)17(21)20-5-6-22-15(10-20)12-3-2-4-12/h7-9,12,15H,2-6,10H2,1H3,(H,18,19)
InChIKeyLBDIKYGZTSGNSX-UHFFFAOYSA-N
XLogP2.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone?
The IUPAC name of (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone (CID 128716620) is (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone.
What is the SMILES notation for (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone?
The canonical SMILES for (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone is Cc1cc(C(=O)N2CCOC(C3CCC3)C2)c2[nH]ncc2c1.
What is the InChIKey of (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone?
The InChIKey is LBDIKYGZTSGNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-7-13-9-18-19-16(13)14(8-11)17(21)20-5-6-22-15(10-20)12-3-2-4-12/h7-9,12,15H,2-6,10H2,1H3,(H,18,19).
What are the key properties of (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone?
(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone is sourced from PubChem (CID 128716620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).