4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C20H25N5O4 — CID 20965943

IUPAC4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cccc1-c1cc2n(n1)CCC(=O)N2CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H25N5O4/c1-22-7-2-3-16(22)15-13-17-24(18(26)4-8-25(17)21-15)14-19(27)23-9-5-20(6-10-23)28-11-12-29-20/h2-3,7,13H,4-6,8-12,14H2,1H3
InChIKeyNDWKSEZGTOQPBB-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.99
Rot. Bonds3

About 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 20965943) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID20965943
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cccc1-c1cc2n(n1)CCC(=O)N2CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H25N5O4/c1-22-7-2-3-16(22)15-13-17-24(18(26)4-8-25(17)21-15)14-19(27)23-9-5-20(6-10-23)28-11-12-29-20/h2-3,7,13H,4-6,8-12,14H2,1H3
InChIKeyNDWKSEZGTOQPBB-UHFFFAOYSA-N
XLogP0.99
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 20965943) is 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cn1cccc1-c1cc2n(n1)CCC(=O)N2CC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NDWKSEZGTOQPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-22-7-2-3-16(22)15-13-17-24(18(26)4-8-25(17)21-15)14-19(27)23-9-5-20(6-10-23)28-11-12-29-20/h2-3,7,13H,4-6,8-12,14H2,1H3.
What are the key properties of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 399.45 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 20965943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).