4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine

C18H26N4O2 — CID 97405378

IUPAC4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
SMILESCC(C)n1nc(CN2CCOCC2)c2c1CN(Cc1ccoc1)C2
InChIInChI=1S/C18H26N4O2/c1-14(2)22-18-12-21(9-15-3-6-24-13-15)10-16(18)17(19-22)11-20-4-7-23-8-5-20/h3,6,13-14H,4-5,7-12H2,1-2H3
InChIKeyQEBJHAJKSMNREW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.40
Rot. Bonds5

About 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine

4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine (PubChem CID 97405378) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
PubChem CID97405378
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
SMILESCC(C)n1nc(CN2CCOCC2)c2c1CN(Cc1ccoc1)C2
InChIInChI=1S/C18H26N4O2/c1-14(2)22-18-12-21(9-15-3-6-24-13-15)10-16(18)17(19-22)11-20-4-7-23-8-5-20/h3,6,13-14H,4-5,7-12H2,1-2H3
InChIKeyQEBJHAJKSMNREW-UHFFFAOYSA-N
XLogP2.40
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.40
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-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine (CID 97405378) is 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine is CC(C)n1nc(CN2CCOCC2)c2c1CN(Cc1ccoc1)C2.
What is the InChIKey of 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The InChIKey is QEBJHAJKSMNREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)22-18-12-21(9-15-3-6-24-13-15)10-16(18)17(19-22)11-20-4-7-23-8-5-20/h3,6,13-14H,4-5,7-12H2,1-2H3.
What are the key properties of 4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
4-[[5-(furan-3-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine has a molecular weight of 330.43 g/mol, XLogP of 2.40, 5 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-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 97405378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).