2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

C21H24F2N4O3 — CID 133142755

IUPAC2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCCN1CCCC2(CN(C(=O)c3cnc4cc(C)ccn4c3=O)CC(F)(F)C2)C1=O
InChIInChI=1S/C21H24F2N4O3/c1-3-25-7-4-6-20(19(25)30)11-21(22,23)13-26(12-20)17(28)15-10-24-16-9-14(2)5-8-27(16)18(15)29/h5,8-10H,3-4,6-7,11-13H2,1-2H3
InChIKeyJNROHAOAJINZCG-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.11
Rot. Bonds2

About 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 133142755) has the molecular formula C21H24F2N4O3 and a molecular weight of 418.44 g/mol. Its IUPAC name is 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID133142755
Molecular FormulaC21H24F2N4O3
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCCN1CCCC2(CN(C(=O)c3cnc4cc(C)ccn4c3=O)CC(F)(F)C2)C1=O
InChIInChI=1S/C21H24F2N4O3/c1-3-25-7-4-6-20(19(25)30)11-21(22,23)13-26(12-20)17(28)15-10-24-16-9-14(2)5-8-27(16)18(15)29/h5,8-10H,3-4,6-7,11-13H2,1-2H3
InChIKeyJNROHAOAJINZCG-UHFFFAOYSA-N
XLogP2.11
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(6S)-2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 124234358
(6R)-2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 124234359
2-ethyl-8-[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70763289
(6S)-2-ethyl-8-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95888964
(6R)-2-ethyl-8-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95888965
3-[(6S)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 99134466
3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 99134467
3-(2-Azaspiro[5.5]undec-9-ene-2-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 102554557
3-[(1'-acetyl-4,4'-bipiperidin-1-yl)carbonyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 155492026

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 133142755) is 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is CCN1CCCC2(CN(C(=O)c3cnc4cc(C)ccn4c3=O)CC(F)(F)C2)C1=O.
What is the InChIKey of 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is JNROHAOAJINZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O3/c1-3-25-7-4-6-20(19(25)30)11-21(22,23)13-26(12-20)17(28)15-10-24-16-9-14(2)5-8-27(16)18(15)29/h5,8-10H,3-4,6-7,11-13H2,1-2H3.
What are the key properties of 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 418.44 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 133142755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).