morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone

C16H24N4O3 — CID 97408303

IUPACmorpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
SMILESO=C(c1n[nH]c2c1CN(CC1CCOCC1)C2)N1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-16(20-3-7-23-8-4-20)15-13-10-19(11-14(13)17-18-15)9-12-1-5-22-6-2-12/h12H,1-11H2,(H,17,18)
InChIKeyDTOOEDSXANUKLE-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.62
Rot. Bonds3

About morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone

morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone (PubChem CID 97408303) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
PubChem CID97408303
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namemorpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
SMILESO=C(c1n[nH]c2c1CN(CC1CCOCC1)C2)N1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-16(20-3-7-23-8-4-20)15-13-10-19(11-14(13)17-18-15)9-12-1-5-22-6-2-12/h12H,1-11H2,(H,17,18)
InChIKeyDTOOEDSXANUKLE-UHFFFAOYSA-N
XLogP0.62
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97389040
morpholin-4-yl-[5-(pyridin-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155823743
cyclobutyl-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 42873495
1-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97408296
(4-methylpiperazin-1-yl)-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118738799
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 146115592
[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 155901237
[5-[(5-ethylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97461984
(2-bromophenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914446
(4-fluorophenyl)-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126774093

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone (CID 97408303) is morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone is O=C(c1n[nH]c2c1CN(CC1CCOCC1)C2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
The InChIKey is DTOOEDSXANUKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-16(20-3-7-23-8-4-20)15-13-10-19(11-14(13)17-18-15)9-12-1-5-22-6-2-12/h12H,1-11H2,(H,17,18).
What are the key properties of morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 97408303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).