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

C24H31FN6O — CID 23651430

IUPAC5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H31FN6O/c1-28(2)23(32)31-17-24(20-15-18(25)3-4-21(20)31)7-13-29(14-8-24)19-5-11-30(12-6-19)22-16-26-9-10-27-22/h3-4,9-10,15-16,19H,5-8,11-14,17H2,1-2H3
InChIKeyUAAMLOLRVADHIC-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.12
Rot. Bonds2

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

5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23651430) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23651430
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H31FN6O/c1-28(2)23(32)31-17-24(20-15-18(25)3-4-21(20)31)7-13-29(14-8-24)19-5-11-30(12-6-19)22-16-26-9-10-27-22/h3-4,9-10,15-16,19H,5-8,11-14,17H2,1-2H3
InChIKeyUAAMLOLRVADHIC-UHFFFAOYSA-N
XLogP3.12
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide with MolForge

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Related Compounds

3-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-1-benzyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 44573446
1-(2,3-Dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4880445
(S)-3-(1-(2-amino-6-(4-fluorophenyl)pyrimidin-4-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 46863666
(S)-1-ethyl-3-(1-(4-(4-fluorophenyl)pyrimidin-2-yl)piperidin-3-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54580242
(S)-1-ethyl-3-(1-(4-phenylpyrimidin-2-yl)piperidin-3-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54585153
N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
CID 70688692
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 53311225
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 137495563
US11685729, Example 58
CID 139330285
(8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368566
8-[6-[4-(Dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 129120553
1-Cyclopentyl-6-(4-fluoro-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
CID 163220167

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23651430) is 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is UAAMLOLRVADHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O/c1-28(2)23(32)31-17-24(20-15-18(25)3-4-21(20)31)7-13-29(14-8-24)19-5-11-30(12-6-19)22-16-26-9-10-27-22/h3-4,9-10,15-16,19H,5-8,11-14,17H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.12, 2 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'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23651430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).