1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone

C18H23N5O3 — CID 72917291

IUPAC1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone
SMILESO=C(C(c1cccnc1)N1CCOCC1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C18H23N5O3/c24-7-4-23-16-13-22(12-15(16)11-20-23)18(25)17(14-2-1-3-19-10-14)21-5-8-26-9-6-21/h1-3,10-11,17,24H,4-9,12-13H2
InChIKeyBLCBVXKQVAKZBL-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.19
Rot. Bonds5

About 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone

1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone (PubChem CID 72917291) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone
PubChem CID72917291
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone
SMILESO=C(C(c1cccnc1)N1CCOCC1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C18H23N5O3/c24-7-4-23-16-13-22(12-15(16)11-20-23)18(25)17(14-2-1-3-19-10-14)21-5-8-26-9-6-21/h1-3,10-11,17,24H,4-9,12-13H2
InChIKeyBLCBVXKQVAKZBL-UHFFFAOYSA-N
XLogP0.19
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
CID 74230397
2-morpholin-4-yl-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72928474
3-[1-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97276057
1-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 71083509
(3S)-3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-3-phenylpropan-1-one
CID 99930935
(2R)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97271373
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
N-(2-ethylsulfanylphenyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131917262
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone?
The IUPAC name of 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone (CID 72917291) is 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone is O=C(C(c1cccnc1)N1CCOCC1)N1Cc2cnn(CCO)c2C1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone?
The InChIKey is BLCBVXKQVAKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-7-4-23-16-13-22(12-15(16)11-20-23)18(25)17(14-2-1-3-19-10-14)21-5-8-26-9-6-21/h1-3,10-11,17,24H,4-9,12-13H2.
What are the key properties of 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone?
1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone has a molecular weight of 357.41 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone is sourced from PubChem (CID 72917291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).