[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone

C19H26N4O2 — CID 87053389

IUPAC[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
SMILESCN(C)CC1CN(C(=O)c2n[nH]c3ccccc23)CC12CCOCC2
InChIInChI=1S/C19H26N4O2/c1-22(2)11-14-12-23(13-19(14)7-9-25-10-8-19)18(24)17-15-5-3-4-6-16(15)20-21-17/h3-6,14H,7-13H2,1-2H3,(H,20,21)
InChIKeyMMHIEWGPTHOASK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.99
Rot. Bonds3

About [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone

[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone (PubChem CID 87053389) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
PubChem CID87053389
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
SMILESCN(C)CC1CN(C(=O)c2n[nH]c3ccccc23)CC12CCOCC2
InChIInChI=1S/C19H26N4O2/c1-22(2)11-14-12-23(13-19(14)7-9-25-10-8-19)18(24)17-15-5-3-4-6-16(15)20-21-17/h3-6,14H,7-13H2,1-2H3,(H,20,21)
InChIKeyMMHIEWGPTHOASK-UHFFFAOYSA-N
XLogP1.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone (CID 87053389) is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone is CN(C)CC1CN(C(=O)c2n[nH]c3ccccc23)CC12CCOCC2.
What is the InChIKey of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is MMHIEWGPTHOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(2)11-14-12-23(13-19(14)7-9-25-10-8-19)18(24)17-15-5-3-4-6-16(15)20-21-17/h3-6,14H,7-13H2,1-2H3,(H,20,21).
What are the key properties of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 87053389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).