[5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C16H24N4O2 — CID 97408305

IUPAC[5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCC1)C2
InChIInChI=1S/C16H24N4O2/c1-18-14-11-19(9-12-3-2-4-12)10-13(14)15(17-18)16(21)20-5-7-22-8-6-20/h12H,2-11H2,1H3
InChIKeyPXVSONYMZZTVGY-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.01
Rot. Bonds3

About [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 97408305) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID97408305
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCC1)C2
InChIInChI=1S/C16H24N4O2/c1-18-14-11-19(9-12-3-2-4-12)10-13(14)15(17-18)16(21)20-5-7-22-8-6-20/h12H,2-11H2,1H3
InChIKeyPXVSONYMZZTVGY-UHFFFAOYSA-N
XLogP1.01
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 97408305) is [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is Cn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CCC1)C2.
What is the InChIKey of [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PXVSONYMZZTVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18-14-11-19(9-12-3-2-4-12)10-13(14)15(17-18)16(21)20-5-7-22-8-6-20/h12H,2-11H2,1H3.
What are the key properties of [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97408305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).