(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

C22H27N5O2 — CID 110197644

IUPAC(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccc(OC)cc12
InChIInChI=1S/C22H27N5O2/c1-3-27-19(7-11-24-27)21(28)26-12-8-22(9-13-26)20-16(6-10-23-22)17-14-15(29-2)4-5-18(17)25-20/h4-5,7,11,14,23,25H,3,6,8-10,12-13H2,1-2H3
InChIKeyIBBAMVOQEAAYLI-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.67
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone

(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (PubChem CID 110197644) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
PubChem CID110197644
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccc(OC)cc12
InChIInChI=1S/C22H27N5O2/c1-3-27-19(7-11-24-27)21(28)26-12-8-22(9-13-26)20-16(6-10-23-22)17-14-15(29-2)4-5-18(17)25-20/h4-5,7,11,14,23,25H,3,6,8-10,12-13H2,1-2H3
InChIKeyIBBAMVOQEAAYLI-UHFFFAOYSA-N
XLogP2.67
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone (CID 110197644) is (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is CCn1nccc1C(=O)N1CCC2(CC1)NCCc1c2[nH]c2ccc(OC)cc12.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
The InChIKey is IBBAMVOQEAAYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-27-19(7-11-24-27)21(28)26-12-8-22(9-13-26)20-16(6-10-23-22)17-14-15(29-2)4-5-18(17)25-20/h4-5,7,11,14,23,25H,3,6,8-10,12-13H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone?
(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 110197644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).