2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C18H24N4O3 — CID 99998762

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCn2nc([C@H](C)O)cc2C1
InChIInChI=1S/C18H24N4O3/c1-4-15-17(6-5-12(2)19-15)25-11-18(24)21-7-8-22-14(10-21)9-16(20-22)13(3)23/h5-6,9,13,23H,4,7-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyRQCJAFKFYBSKLR-ZDUSSCGKSA-N
MW344.42 g/mol
LogP1.62
Rot. Bonds5

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 99998762) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID99998762
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCn2nc([C@H](C)O)cc2C1
InChIInChI=1S/C18H24N4O3/c1-4-15-17(6-5-12(2)19-15)25-11-18(24)21-7-8-22-14(10-21)9-16(20-22)13(3)23/h5-6,9,13,23H,4,7-8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyRQCJAFKFYBSKLR-ZDUSSCGKSA-N
XLogP1.62
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone with MolForge

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Related Compounds

1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 91775333
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367
2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide
CID 99981916
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 99929273
1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 99973676
1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91778778
(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-1-morpholin-4-ylethanone
CID 79164661
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 95727847
[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 90648536
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
CID 79164469
3-[(3R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-3-yl]benzoic acid
CID 97202777

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 99998762) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CCc1nc(C)ccc1OCC(=O)N1CCn2nc([C@H](C)O)cc2C1.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is RQCJAFKFYBSKLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-15-17(6-5-12(2)19-15)25-11-18(24)21-7-8-22-14(10-21)9-16(20-22)13(3)23/h5-6,9,13,23H,4,7-8,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 99998762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).