[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C16H20N4O3 — CID 97389040

IUPAC[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)o1
InChIInChI=1S/C16H20N4O3/c1-11-2-3-12(23-11)8-19-9-13-14(10-19)17-18-15(13)16(21)20-4-6-22-7-5-20/h2-3H,4-10H2,1H3,(H,17,18)
InChIKeyURRLMDDXURHBGX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.30
Rot. Bonds3

About [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 97389040) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID97389040
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)o1
InChIInChI=1S/C16H20N4O3/c1-11-2-3-12(23-11)8-19-9-13-14(10-19)17-18-15(13)16(21)20-4-6-22-7-5-20/h2-3H,4-10H2,1H3,(H,17,18)
InChIKeyURRLMDDXURHBGX-UHFFFAOYSA-N
XLogP1.30
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(5-ethylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97461984
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
morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
CID 97408303
[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-morpholin-4-ylmethanone
CID 97468792
morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97408296
1-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
[6-(furan-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97381233
4-[5-[(5-ethylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 97461885
(2-bromophenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914446
[2-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538802
cyclobutyl-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 42873495

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 97389040) is [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is Cc1ccc(CN2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)o1.
What is the InChIKey of [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is URRLMDDXURHBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-2-3-12(23-11)8-19-9-13-14(10-19)17-18-15(13)16(21)20-4-6-22-7-5-20/h2-3H,4-10H2,1H3,(H,17,18).
What are the key properties of [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 316.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97389040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).