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

C24H32FN7O — CID 71177239

IUPAC1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4nccnc4N)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H32FN7O/c1-29(2)23(33)32-16-24(19-15-17(25)3-4-20(19)32)7-13-30(14-8-24)18-5-11-31(12-6-18)22-21(26)27-9-10-28-22/h3-4,9-10,15,18H,5-8,11-14,16H2,1-2H3,(H2,26,27)
InChIKeyMCONBVUOYPJLNW-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.70
Rot. Bonds2

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

1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 71177239) has the molecular formula C24H32FN7O and a molecular weight of 453.57 g/mol. Its IUPAC name is 1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID71177239
Molecular FormulaC24H32FN7O
Molecular Weight453.57 g/mol
Exact Mass453.27
IUPAC Name1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4nccnc4N)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H32FN7O/c1-29(2)23(33)32-16-24(19-15-17(25)3-4-20(19)32)7-13-30(14-8-24)18-5-11-31(12-6-18)22-21(26)27-9-10-28-22/h3-4,9-10,15,18H,5-8,11-14,16H2,1-2H3,(H2,26,27)
InChIKeyMCONBVUOYPJLNW-UHFFFAOYSA-N
XLogP2.70
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 71177239) is 1'-[1-(3-aminopyrazin-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-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(c4nccnc4N)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is MCONBVUOYPJLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O/c1-29(2)23(33)32-16-24(19-15-17(25)3-4-20(19)32)7-13-30(14-8-24)18-5-11-31(12-6-18)22-21(26)27-9-10-28-22/h3-4,9-10,15,18H,5-8,11-14,16H2,1-2H3,(H2,26,27).
What are the key properties of 1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(3-aminopyrazin-2-yl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 71177239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).