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

C21H28N4O3 — CID 91919081

IUPAC1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C21H28N4O3/c26-20(19-17-3-1-2-4-18(17)22-23-19)25-8-6-21(7-9-25)15-16(5-12-28-21)24-10-13-27-14-11-24/h1-4,16H,5-15H2,(H,22,23)
InChIKeyPFUWPZJUJFEWRD-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.05
Rot. Bonds2

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

1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91919081) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91919081
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C21H28N4O3/c26-20(19-17-3-1-2-4-18(17)22-23-19)25-8-6-21(7-9-25)15-16(5-12-28-21)24-10-13-27-14-11-24/h1-4,16H,5-15H2,(H,22,23)
InChIKeyPFUWPZJUJFEWRD-UHFFFAOYSA-N
XLogP2.05
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91919081) is 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC2(CC1)CC(N1CCOCC1)CCO2.
What is the InChIKey of 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is PFUWPZJUJFEWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-20(19-17-3-1-2-4-18(17)22-23-19)25-8-6-21(7-9-25)15-16(5-12-28-21)24-10-13-27-14-11-24/h1-4,16H,5-15H2,(H,22,23).
What are the key properties of 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91919081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).