(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

C21H25N5O — CID 110197556

IUPAC(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESCCn1ccc(C(=O)N2CCC3(CC2)NCCc2c3[nH]c3ccccc23)n1
InChIInChI=1S/C21H25N5O/c1-2-26-12-8-18(24-26)20(27)25-13-9-21(10-14-25)19-16(7-11-22-21)15-5-3-4-6-17(15)23-19/h3-6,8,12,22-23H,2,7,9-11,13-14H2,1H3
InChIKeyUROHOBRMGRODHF-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.66
Rot. Bonds2

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

(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (PubChem CID 110197556) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
PubChem CID110197556
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
SMILESCCn1ccc(C(=O)N2CCC3(CC2)NCCc2c3[nH]c3ccccc23)n1
InChIInChI=1S/C21H25N5O/c1-2-26-12-8-18(24-26)20(27)25-13-9-21(10-14-25)19-16(7-11-22-21)15-5-3-4-6-17(15)23-19/h3-6,8,12,22-23H,2,7,9-11,13-14H2,1H3
InChIKeyUROHOBRMGRODHF-UHFFFAOYSA-N
XLogP2.66
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone (CID 110197556) is (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is CCn1ccc(C(=O)N2CCC3(CC2)NCCc2c3[nH]c3ccccc23)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is UROHOBRMGRODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-26-12-8-18(24-26)20(27)25-13-9-21(10-14-25)19-16(7-11-22-21)15-5-3-4-6-17(15)23-19/h3-6,8,12,22-23H,2,7,9-11,13-14H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone?
(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 363.47 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 110197556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).