1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one

C20H27N5O3 — CID 56899292

IUPAC1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCn2nc(CN3CCCOCC3)cc2C1
InChIInChI=1S/C20H27N5O3/c26-19-4-1-2-7-23(19)8-5-20(27)24-9-10-25-18(16-24)14-17(21-25)15-22-6-3-12-28-13-11-22/h1-2,4,7,14H,3,5-6,8-13,15-16H2
InChIKeyAVURQDZCYGBRLF-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.70
Rot. Bonds5

About 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one

1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 56899292) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one
PubChem CID56899292
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCn2nc(CN3CCCOCC3)cc2C1
InChIInChI=1S/C20H27N5O3/c26-19-4-1-2-7-23(19)8-5-20(27)24-9-10-25-18(16-24)14-17(21-25)15-22-6-3-12-28-13-11-22/h1-2,4,7,14H,3,5-6,8-13,15-16H2
InChIKeyAVURQDZCYGBRLF-UHFFFAOYSA-N
XLogP0.70
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one with MolForge

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Related Compounds

1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-pyrrol-1-ylpropan-1-one
CID 90653919
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863438
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118767144
1-[3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70756905
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 91775443
1-morpholin-4-yl-3-[5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-one
CID 72921641
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-[2-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 56887693
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
CID 91788695
1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one
CID 72850728

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one (CID 56899292) is 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCn2nc(CN3CCCOCC3)cc2C1.
What is the InChIKey of 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is AVURQDZCYGBRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-19-4-1-2-7-23(19)8-5-20(27)24-9-10-25-18(16-24)14-17(21-25)15-22-6-3-12-28-13-11-22/h1-2,4,7,14H,3,5-6,8-13,15-16H2.
What are the key properties of 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 385.47 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1,4-oxazepan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 56899292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).