5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol

C28H33N3O2 — CID 54294949

IUPAC5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol
SMILESCCn1c(O)c2c(c1O)C1(CCN([C@@H]3CCCc4ccccc43)CC1)N(c1ccccc1)C2
InChIInChI=1S/C28H33N3O2/c1-2-30-26(32)23-19-31(21-11-4-3-5-12-21)28(25(23)27(30)33)15-17-29(18-16-28)24-14-8-10-20-9-6-7-13-22(20)24/h3-7,9,11-13,24,32-33H,2,8,10,14-19H2,1H3/t24-/m1/s1
InChIKeySADRPAVPJPNGKR-XMMPIXPASA-N
MW443.59 g/mol
LogP5.31
Rot. Bonds3

About 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol

5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol (PubChem CID 54294949) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol.

Molecular Properties

Compound Name5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol
PubChem CID54294949
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol
SMILESCCn1c(O)c2c(c1O)C1(CCN([C@@H]3CCCc4ccccc43)CC1)N(c1ccccc1)C2
InChIInChI=1S/C28H33N3O2/c1-2-30-26(32)23-19-31(21-11-4-3-5-12-21)28(25(23)27(30)33)15-17-29(18-16-28)24-14-8-10-20-9-6-7-13-22(20)24/h3-7,9,11-13,24,32-33H,2,8,10,14-19H2,1H3/t24-/m1/s1
InChIKeySADRPAVPJPNGKR-XMMPIXPASA-N
XLogP5.31
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
The IUPAC name of 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol (CID 54294949) is 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol.
What is the SMILES notation for 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
The canonical SMILES for 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol is CCn1c(O)c2c(c1O)C1(CCN([C@@H]3CCCc4ccccc43)CC1)N(c1ccccc1)C2.
What is the InChIKey of 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
The InChIKey is SADRPAVPJPNGKR-XMMPIXPASA-N. The full InChI is InChI=1S/C28H33N3O2/c1-2-30-26(32)23-19-31(21-11-4-3-5-12-21)28(25(23)27(30)33)15-17-29(18-16-28)24-14-8-10-20-9-6-7-13-22(20)24/h3-7,9,11-13,24,32-33H,2,8,10,14-19H2,1H3/t24-/m1/s1.
What are the key properties of 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol has a molecular weight of 443.59 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol is sourced from PubChem (CID 54294949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).