4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C26H31N5O4 — CID 20966025

IUPAC4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C26H31N5O4/c1-28-18-20(19-5-2-3-6-22(19)28)21-17-23-30(25(33)8-12-31(23)27-21)11-4-7-24(32)29-13-9-26(10-14-29)34-15-16-35-26/h2-3,5-6,17-18H,4,7-16H2,1H3
InChIKeyOSVCENIUDLCMET-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.92
Rot. Bonds5

About 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 20966025) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID20966025
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C26H31N5O4/c1-28-18-20(19-5-2-3-6-22(19)28)21-17-23-30(25(33)8-12-31(23)27-21)11-4-7-24(32)29-13-9-26(10-14-29)34-15-16-35-26/h2-3,5-6,17-18H,4,7-16H2,1H3
InChIKeyOSVCENIUDLCMET-UHFFFAOYSA-N
XLogP2.92
TPSA81.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-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-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 20966025) is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is Cn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21.
What is the InChIKey of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is OSVCENIUDLCMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-28-18-20(19-5-2-3-6-22(19)28)21-17-23-30(25(33)8-12-31(23)27-21)11-4-7-24(32)29-13-9-26(10-14-29)34-15-16-35-26/h2-3,5-6,17-18H,4,7-16H2,1H3.
What are the key properties of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 477.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 20966025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).