1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C26H35FN6O — CID 23651129

IUPAC1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cnc(C)c(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccc(F)cc34)CC2)n1
InChIInChI=1S/C26H35FN6O/c1-18-16-28-19(2)24(29-18)32-11-7-21(8-12-32)31-13-9-26(10-14-31)17-33(25(34)30(3)4)23-6-5-20(27)15-22(23)26/h5-6,15-16,21H,7-14,17H2,1-4H3
InChIKeyVPXNTGAWQBGOBB-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.74
Rot. Bonds2

About 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23651129) has the molecular formula C26H35FN6O and a molecular weight of 466.61 g/mol. Its IUPAC name is 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23651129
Molecular FormulaC26H35FN6O
Molecular Weight466.61 g/mol
Exact Mass466.29
IUPAC Name1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1cnc(C)c(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccc(F)cc34)CC2)n1
InChIInChI=1S/C26H35FN6O/c1-18-16-28-19(2)24(29-18)32-11-7-21(8-12-32)31-13-9-26(10-14-31)17-33(25(34)30(3)4)23-6-5-20(27)15-22(23)26/h5-6,15-16,21H,7-14,17H2,1-4H3
InChIKeyVPXNTGAWQBGOBB-UHFFFAOYSA-N
XLogP3.74
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23651129) is 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1cnc(C)c(N2CCC(N3CCC4(CC3)CN(C(=O)N(C)C)c3ccc(F)cc34)CC2)n1.
What is the InChIKey of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is VPXNTGAWQBGOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN6O/c1-18-16-28-19(2)24(29-18)32-11-7-21(8-12-32)31-13-9-26(10-14-31)17-33(25(34)30(3)4)23-6-5-20(27)15-22(23)26/h5-6,15-16,21H,7-14,17H2,1-4H3.
What are the key properties of 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23651129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).