4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine

C16H22N4O2 — CID 97405354

IUPAC4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
SMILESCn1nc(CN2CCOCC2)c2c1CN(Cc1ccoc1)C2
InChIInChI=1S/C16H22N4O2/c1-18-16-11-20(8-13-2-5-22-12-13)9-14(16)15(17-18)10-19-3-6-21-7-4-19/h2,5,12H,3-4,6-11H2,1H3
InChIKeyQORSTJDNRGKCQX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.36
Rot. Bonds4

About 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine

4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine (PubChem CID 97405354) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
PubChem CID97405354
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
SMILESCn1nc(CN2CCOCC2)c2c1CN(Cc1ccoc1)C2
InChIInChI=1S/C16H22N4O2/c1-18-16-11-20(8-13-2-5-22-12-13)9-14(16)15(17-18)10-19-3-6-21-7-4-19/h2,5,12H,3-4,6-11H2,1H3
InChIKeyQORSTJDNRGKCQX-UHFFFAOYSA-N
XLogP1.36
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine (CID 97405354) is 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine is Cn1nc(CN2CCOCC2)c2c1CN(Cc1ccoc1)C2.
What is the InChIKey of 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The InChIKey is QORSTJDNRGKCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18-16-11-20(8-13-2-5-22-12-13)9-14(16)15(17-18)10-19-3-6-21-7-4-19/h2,5,12H,3-4,6-11H2,1H3.
What are the key properties of 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine has a molecular weight of 302.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-3-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 97405354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).