[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone

C21H30N4O2 — CID 91919111

IUPAC[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone
SMILESCCN(CC)C1CCOC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C21H30N4O2/c1-3-24(4-2)16-9-14-27-21(15-16)10-12-25(13-11-21)20(26)19-17-7-5-6-8-18(17)22-23-19/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,23)
InChIKeyPBIVZVFBYCCUMD-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.06
Rot. Bonds4

About [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone

[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone (PubChem CID 91919111) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone
PubChem CID91919111
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone
SMILESCCN(CC)C1CCOC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C21H30N4O2/c1-3-24(4-2)16-9-14-27-21(15-16)10-12-25(13-11-21)20(26)19-17-7-5-6-8-18(17)22-23-19/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,23)
InChIKeyPBIVZVFBYCCUMD-UHFFFAOYSA-N
XLogP3.06
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone (CID 91919111) is [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone is CCN(CC)C1CCOC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1.
What is the InChIKey of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is PBIVZVFBYCCUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-24(4-2)16-9-14-27-21(15-16)10-12-25(13-11-21)20(26)19-17-7-5-6-8-18(17)22-23-19/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,23).
What are the key properties of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone?
[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 370.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 91919111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).