[5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

C24H25N5O2 — CID 110197554

IUPAC[5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C24H25N5O2/c30-23(21-6-5-17(31-21)15-28-14-11-25-16-28)29-12-8-24(9-13-29)22-19(7-10-26-24)18-3-1-2-4-20(18)27-22/h1-6,11,14,16,26-27H,7-10,12-13,15H2
InChIKeyUXLUEZWBENSBJK-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.28
Rot. Bonds3

About [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

[5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (PubChem CID 110197554) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
PubChem CID110197554
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C24H25N5O2/c30-23(21-6-5-17(31-21)15-28-14-11-25-16-28)29-12-8-24(9-13-29)22-19(7-10-26-24)18-3-1-2-4-20(18)27-22/h1-6,11,14,16,26-27H,7-10,12-13,15H2
InChIKeyUXLUEZWBENSBJK-UHFFFAOYSA-N
XLogP3.28
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (CID 110197554) is [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12.
What is the InChIKey of [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is UXLUEZWBENSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23(21-6-5-17(31-21)15-28-14-11-25-16-28)29-12-8-24(9-13-29)22-19(7-10-26-24)18-3-1-2-4-20(18)27-22/h1-6,11,14,16,26-27H,7-10,12-13,15H2.
What are the key properties of [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
[5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 415.50 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazol-1-ylmethyl)furan-2-yl]-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 110197554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).