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

C15H22N4O2 — CID 97389066

IUPAC[5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CC1)C2
InChIInChI=1S/C15H22N4O2/c1-17-13-10-18(8-11-2-3-11)9-12(13)14(16-17)15(20)19-4-6-21-7-5-19/h11H,2-10H2,1H3
InChIKeyVROODFZIFVWLIZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.62
Rot. Bonds3

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

[5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 97389066) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID97389066
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CC1)C2
InChIInChI=1S/C15H22N4O2/c1-17-13-10-18(8-11-2-3-11)9-12(13)14(16-17)15(20)19-4-6-21-7-5-19/h11H,2-10H2,1H3
InChIKeyVROODFZIFVWLIZ-UHFFFAOYSA-N
XLogP0.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone
CID 97389023
[1-Methyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97389061
[5-(Cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97408305
[1-Methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97462006
(1-Methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 97462012
(4-Methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone
CID 97462024
(5-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 118742610
(5-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 118744860
(5-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744859
[5-(Cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746639
(1-Methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746914
[5-(1-Fluorocyclobutanecarbonyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 129555502

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 97389066) is [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is Cn1nc(C(=O)N2CCOCC2)c2c1CN(CC1CC1)C2.
What is the InChIKey of [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VROODFZIFVWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-13-10-18(8-11-2-3-11)9-12(13)14(16-17)15(20)19-4-6-21-7-5-19/h11H,2-10H2,1H3.
What are the key properties of [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97389066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).