1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone

C21H26N4O4 — CID 109286005

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone
SMILESCC(C)Oc1ccc(Nc2cnc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1
InChIInChI=1S/C21H26N4O4/c1-15(2)29-17-5-3-16(4-6-17)24-19-14-22-18(13-23-19)20(26)25-9-7-21(8-10-25)27-11-12-28-21/h3-6,13-15H,7-12H2,1-2H3,(H,23,24)
InChIKeyOOCAXDBNRLVFTK-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.99
Rot. Bonds5

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone (PubChem CID 109286005) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone
PubChem CID109286005
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone
SMILESCC(C)Oc1ccc(Nc2cnc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1
InChIInChI=1S/C21H26N4O4/c1-15(2)29-17-5-3-16(4-6-17)24-19-14-22-18(13-23-19)20(26)25-9-7-21(8-10-25)27-11-12-28-21/h3-6,13-15H,7-12H2,1-2H3,(H,23,24)
InChIKeyOOCAXDBNRLVFTK-UHFFFAOYSA-N
XLogP2.99
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone
CID 109285978
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
[5-(4-chloroanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193844
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109160080
5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293861
(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109186368
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylbutylamino)-2-pyridinyl]methanone
CID 109193809
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109193851
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112922997
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-propan-2-ylanilino)-4-pyridinyl]methanone
CID 109173981

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone (CID 109286005) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone is CC(C)Oc1ccc(Nc2cnc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone?
The InChIKey is OOCAXDBNRLVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15(2)29-17-5-3-16(4-6-17)24-19-14-22-18(13-23-19)20(26)25-9-7-21(8-10-25)27-11-12-28-21/h3-6,13-15H,7-12H2,1-2H3,(H,23,24).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone has a molecular weight of 398.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109286005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).