1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine

C25H27FN6 — CID 121349991

IUPAC1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine
SMILESCNCC1CCC2(CC1)Cc1nc(-c3ccc(F)cc3)c(-c3ccc4ncnn4c3)n1C2
InChIInChI=1S/C25H27FN6/c1-27-13-17-8-10-25(11-9-17)12-22-30-23(18-2-5-20(26)6-3-18)24(31(22)15-25)19-4-7-21-28-16-29-32(21)14-19/h2-7,14,16-17,27H,8-13,15H2,1H3
InChIKeyXWVYHZCKPAWAKX-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.35
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine

1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine (PubChem CID 121349991) has the molecular formula C25H27FN6 and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine
PubChem CID121349991
Molecular FormulaC25H27FN6
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine
SMILESCNCC1CCC2(CC1)Cc1nc(-c3ccc(F)cc3)c(-c3ccc4ncnn4c3)n1C2
InChIInChI=1S/C25H27FN6/c1-27-13-17-8-10-25(11-9-17)12-22-30-23(18-2-5-20(26)6-3-18)24(31(22)15-25)19-4-7-21-28-16-29-32(21)14-19/h2-7,14,16-17,27H,8-13,15H2,1H3
InChIKeyXWVYHZCKPAWAKX-UHFFFAOYSA-N
XLogP4.35
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine (CID 121349991) is 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine is CNCC1CCC2(CC1)Cc1nc(-c3ccc(F)cc3)c(-c3ccc4ncnn4c3)n1C2.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine?
The InChIKey is XWVYHZCKPAWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6/c1-27-13-17-8-10-25(11-9-17)12-22-30-23(18-2-5-20(26)6-3-18)24(31(22)15-25)19-4-7-21-28-16-29-32(21)14-19/h2-7,14,16-17,27H,8-13,15H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine?
1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine has a molecular weight of 430.53 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,4'-cyclohexane]-1'-yl]-N-methylmethanamine is sourced from PubChem (CID 121349991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).