5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C24H31FN6O — CID 59433032

IUPAC5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C[C@@H]3CCN(c4cnccn4)C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H31FN6O/c1-28(2)23(32)31-17-24(20-13-19(25)3-4-21(20)31)6-11-29(12-7-24)15-18-5-10-30(16-18)22-14-26-8-9-27-22/h3-4,8-9,13-14,18H,5-7,10-12,15-17H2,1-2H3/t18-/m0/s1
InChIKeyFFWDQZIMBYHEED-SFHVURJKSA-N
MW438.55 g/mol
LogP2.98
Rot. Bonds3

About 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59433032) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID59433032
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C[C@@H]3CCN(c4cnccn4)C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H31FN6O/c1-28(2)23(32)31-17-24(20-13-19(25)3-4-21(20)31)6-11-29(12-7-24)15-18-5-10-30(16-18)22-14-26-8-9-27-22/h3-4,8-9,13-14,18H,5-7,10-12,15-17H2,1-2H3/t18-/m0/s1
InChIKeyFFWDQZIMBYHEED-SFHVURJKSA-N
XLogP2.98
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59433032) is 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C[C@@H]3CCN(c4cnccn4)C3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is FFWDQZIMBYHEED-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31FN6O/c1-28(2)23(32)31-17-24(20-13-19(25)3-4-21(20)31)6-11-29(12-7-24)15-18-5-10-30(16-18)22-14-26-8-9-27-22/h3-4,8-9,13-14,18H,5-7,10-12,15-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1'-[[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59433032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).