[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone

C21H27N5O3 — CID 50953270

IUPAC[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
SMILESCCCNc1ccccc1C(=O)N1CCn2nc(C(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C21H27N5O3/c1-2-7-22-18-6-4-3-5-17(18)20(27)25-8-9-26-16(15-25)14-19(23-26)21(28)24-10-12-29-13-11-24/h3-6,14,22H,2,7-13,15H2,1H3
InChIKeyNEPXBLOMVSXUJY-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.83
Rot. Bonds5

About [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone

[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone (PubChem CID 50953270) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
PubChem CID50953270
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
SMILESCCCNc1ccccc1C(=O)N1CCn2nc(C(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C21H27N5O3/c1-2-7-22-18-6-4-3-5-17(18)20(27)25-8-9-26-16(15-25)14-19(23-26)21(28)24-10-12-29-13-11-24/h3-6,14,22H,2,7-13,15H2,1H3
InChIKeyNEPXBLOMVSXUJY-UHFFFAOYSA-N
XLogP1.83
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 86930964
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165925
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 91775443
morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50978195
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
CID 63605316
2,3-dihydro-1-benzofuran-7-yl-[2-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 50955834
1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62966972
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 55698240
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235

Frequently Asked Questions

What is the IUPAC name of [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone?
The IUPAC name of [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone (CID 50953270) is [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone.
What is the SMILES notation for [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone?
The canonical SMILES for [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone is CCCNc1ccccc1C(=O)N1CCn2nc(C(=O)N3CCOCC3)cc2C1.
What is the InChIKey of [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone?
The InChIKey is NEPXBLOMVSXUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-2-7-22-18-6-4-3-5-17(18)20(27)25-8-9-26-16(15-25)14-19(23-26)21(28)24-10-12-29-13-11-24/h3-6,14,22H,2,7-13,15H2,1H3.
What are the key properties of [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone?
[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone has a molecular weight of 397.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone is sourced from PubChem (CID 50953270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).