2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone

C15H17N3O3 — CID 127893301

IUPAC2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCOC2(CCOC2)C1
InChIInChI=1S/C15H17N3O3/c19-14(12-3-1-2-11-8-16-17-13(11)12)18-5-7-21-15(9-18)4-6-20-10-15/h1-3,8H,4-7,9-10H2,(H,16,17)
InChIKeyYPBVMQFOTLNMSP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.19
Rot. Bonds1

About 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone

2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone (PubChem CID 127893301) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone
PubChem CID127893301
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCOC2(CCOC2)C1
InChIInChI=1S/C15H17N3O3/c19-14(12-3-1-2-11-8-16-17-13(11)12)18-5-7-21-15(9-18)4-6-20-10-15/h1-3,8H,4-7,9-10H2,(H,16,17)
InChIKeyYPBVMQFOTLNMSP-UHFFFAOYSA-N
XLogP1.19
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
(4-cyanooxan-4-yl)methyl 1H-indazole-7-carboxylate
CID 84599589
1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 171674639
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone
CID 138992709
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 95721471
1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37314320
(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
CID 32773251
[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 99833423
(3-chloro-2-fluorophenyl)-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95726443
(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone?
The IUPAC name of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone (CID 127893301) is 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone.
What is the SMILES notation for 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone?
The canonical SMILES for 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone is O=C(c1cccc2cn[nH]c12)N1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone?
The InChIKey is YPBVMQFOTLNMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(12-3-1-2-11-8-16-17-13(11)12)18-5-7-21-15(9-18)4-6-20-10-15/h1-3,8H,4-7,9-10H2,(H,16,17).
What are the key properties of 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone?
2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxa-9-azaspiro[4.5]decan-9-yl(1H-indazol-7-yl)methanone is sourced from PubChem (CID 127893301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).