[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

C25H27N5O2 — CID 110197593

IUPAC[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESCN1CCc2c([nH]c3ccccc23)C12CCN(C(=O)c1ccc(Cn3ccnc3)o1)CC2
InChIInChI=1S/C25H27N5O2/c1-28-12-8-20-19-4-2-3-5-21(19)27-23(20)25(28)9-13-30(14-10-25)24(31)22-7-6-18(32-22)16-29-15-11-26-17-29/h2-7,11,15,17,27H,8-10,12-14,16H2,1H3
InChIKeyCRNLUOHJICJTHZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.63
Rot. Bonds3

About [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (PubChem CID 110197593) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
PubChem CID110197593
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESCN1CCc2c([nH]c3ccccc23)C12CCN(C(=O)c1ccc(Cn3ccnc3)o1)CC2
InChIInChI=1S/C25H27N5O2/c1-28-12-8-20-19-4-2-3-5-21(19)27-23(20)25(28)9-13-30(14-10-25)24(31)22-7-6-18(32-22)16-29-15-11-26-17-29/h2-7,11,15,17,27H,8-10,12-14,16H2,1H3
InChIKeyCRNLUOHJICJTHZ-UHFFFAOYSA-N
XLogP3.63
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (CID 110197593) is [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is CN1CCc2c([nH]c3ccccc23)C12CCN(C(=O)c1ccc(Cn3ccnc3)o1)CC2.
What is the InChIKey of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The InChIKey is CRNLUOHJICJTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-28-12-8-20-19-4-2-3-5-21(19)27-23(20)25(28)9-13-30(14-10-25)24(31)22-7-6-18(32-22)16-29-15-11-26-17-29/h2-7,11,15,17,27H,8-10,12-14,16H2,1H3.
What are the key properties of [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 429.52 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazol-1-ylmethyl)furan-2-yl]-(2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 110197593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).