1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C25H30N4O3 — CID 3241557

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C25H30N4O3/c1-17-21(9-10-22(30)28-13-11-25(12-14-28)31-15-16-32-25)19(3)29-24(26-17)23(18(2)27-29)20-7-5-4-6-8-20/h4-8H,9-16H2,1-3H3
InChIKeyGFEXJBGBOCOIBE-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.62
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 3241557) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID3241557
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C25H30N4O3/c1-17-21(9-10-22(30)28-13-11-25(12-14-28)31-15-16-32-25)19(3)29-24(26-17)23(18(2)27-29)20-7-5-4-6-8-20/h4-8H,9-16H2,1-3H3
InChIKeyGFEXJBGBOCOIBE-UHFFFAOYSA-N
XLogP3.62
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one with MolForge

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Related Compounds

8-{3-[3-(4-Fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 3238424
8-[3-(5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3241529
8-[3-(2,5,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3245533
Ethyl 1-[3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-2-carboxylate
CID 5309110
3-[3-(4-Fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9550745
Ethyl 1-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate
CID 9550746
3-(5,7-Dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)-1-(4-phenyl-1-piperazinyl)-1-propanone
CID 9550750
Ethyl 1-(3-{5,7-dimethyl-2-phenylpyrazolo[1,5-A]pyrimidin-6-YL}propanoyl)piperidine-4-carboxylate
CID 9550751
N-(2,2-dimethoxyethyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 9551318
N-[2-(3-methylphenyl)ethyl]-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 16012252
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxypropyl)propanamide
CID 16188006
N-(3-Methoxypropyl)-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 23602950

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 3241557) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is GFEXJBGBOCOIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-21(9-10-22(30)28-13-11-25(12-14-28)31-15-16-32-25)19(3)29-24(26-17)23(18(2)27-29)20-7-5-4-6-8-20/h4-8H,9-16H2,1-3H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 3241557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).