(2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone

C14H17N3O2 — CID 18108429

IUPAC(2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccccc23)CC(C)O1
InChIInChI=1S/C14H17N3O2/c1-9-7-17(8-10(2)19-9)14(18)13-11-5-3-4-6-12(11)15-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyMRJIOCYSCSQIAA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone (PubChem CID 18108429) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone
PubChem CID18108429
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3ccccc23)CC(C)O1
InChIInChI=1S/C14H17N3O2/c1-9-7-17(8-10(2)19-9)14(18)13-11-5-3-4-6-12(11)15-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyMRJIOCYSCSQIAA-UHFFFAOYSA-N
XLogP1.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone (CID 18108429) is (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone is CC1CN(C(=O)c2n[nH]c3ccccc23)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone?
The InChIKey is MRJIOCYSCSQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-7-17(8-10(2)19-9)14(18)13-11-5-3-4-6-12(11)15-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16).
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 18108429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).