2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine

C22H14FN5O — CID 123511488

IUPAC2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine
SMILESNC1=NC2(c3ccccc3Oc3ccccc32)c2nc(-c3ccnc(F)c3)cn21
InChIInChI=1S/C22H14FN5O/c23-19-11-13(9-10-25-19)16-12-28-20(26-16)22(27-21(28)24)14-5-1-3-7-17(14)29-18-8-4-2-6-15(18)22/h1-12H,(H2,24,27)
InChIKeyLRAPTWFBQJIQPQ-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.66
Rot. Bonds1

About 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine

2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine (PubChem CID 123511488) has the molecular formula C22H14FN5O and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine
PubChem CID123511488
Molecular FormulaC22H14FN5O
Molecular Weight383.39 g/mol
Exact Mass383.12
IUPAC Name2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine
SMILESNC1=NC2(c3ccccc3Oc3ccccc32)c2nc(-c3ccnc(F)c3)cn21
InChIInChI=1S/C22H14FN5O/c23-19-11-13(9-10-25-19)16-12-28-20(26-16)22(27-21(28)24)14-5-1-3-7-17(14)29-18-8-4-2-6-15(18)22/h1-12H,(H2,24,27)
InChIKeyLRAPTWFBQJIQPQ-UHFFFAOYSA-N
XLogP3.66
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-fluoro-7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-isoindole]-1'-amine
CID 56653077
(5R)-3-[2-fluoro-6-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
CID 56654138
2-amino-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(2-fluoro-4-pyridinyl)-3-methylspiro[5H-pyrimidine-6,5'-chromeno[2,3-c]pyridine]-4-one
CID 67617376
2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 67457293
2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 53491838
(6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67383193
10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
CID 122433785
2-bromo-6-(2-fluoro-4-pyridinyl)pyridine
CID 71480002
(4S)-1'-fluoro-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58465967
(2R)-2'-(2-fluoro-3-pyridinyl)-7'-(2-fluoro-4-pyridinyl)spiro[morpholine-6,9'-xanthene]-2-amine
CID 67382799
5-amino-5'-fluoro-7'-(2-fluoro-4-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67438769
2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine?
The IUPAC name of 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine (CID 123511488) is 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine.
What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine?
The canonical SMILES for 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine is NC1=NC2(c3ccccc3Oc3ccccc32)c2nc(-c3ccnc(F)c3)cn21.
What is the InChIKey of 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine?
The InChIKey is LRAPTWFBQJIQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O/c23-19-11-13(9-10-25-19)16-12-28-20(26-16)22(27-21(28)24)14-5-1-3-7-17(14)29-18-8-4-2-6-15(18)22/h1-12H,(H2,24,27).
What are the key properties of 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine?
2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine has a molecular weight of 383.39 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pyridinyl)spiro[imidazo[1,2-c]imidazole-7,9'-xanthene]-5-amine is sourced from PubChem (CID 123511488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).