4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline

C28H24FN5 — CID 139326721

IUPAC4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5C6CCC5CC6)nc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H24FN5/c1-17-12-24(23-14-20(29)3-8-25(23)32-17)26-16-31-28-13-18(10-11-33(26)28)19-2-9-27(30-15-19)34-21-4-5-22(34)7-6-21/h2-3,8-16,21-22H,4-7H2,1H3
InChIKeyOXIKWTVWOBLMQY-UHFFFAOYSA-N
MW449.53 g/mol
LogP6.19
Rot. Bonds3

About 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline

4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline (PubChem CID 139326721) has the molecular formula C28H24FN5 and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline
PubChem CID139326721
Molecular FormulaC28H24FN5
Molecular Weight449.53 g/mol
Exact Mass449.20
IUPAC Name4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5C6CCC5CC6)nc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C28H24FN5/c1-17-12-24(23-14-20(29)3-8-25(23)32-17)26-16-31-28-13-18(10-11-33(26)28)19-2-9-27(30-15-19)34-21-4-5-22(34)7-6-21/h2-3,8-16,21-22H,4-7H2,1H3
InChIKeyOXIKWTVWOBLMQY-UHFFFAOYSA-N
XLogP6.19
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline with MolForge

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Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Fazadinium Bromide
CID 6321422
Florquinitau
CID 118577045
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
US10703755, Example 109
CID 132077032
US11420970, Example 198
CID 156073186
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
6-(4-Benzylpiperazino)pyrido(3,2-e)pyrrolo(1,2-a)pyrazine
CID 9841032

Frequently Asked Questions

What is the IUPAC name of 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline?
The IUPAC name of 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline (CID 139326721) is 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline.
What is the SMILES notation for 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline?
The canonical SMILES for 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5C6CCC5CC6)nc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline?
The InChIKey is OXIKWTVWOBLMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5/c1-17-12-24(23-14-20(29)3-8-25(23)32-17)26-16-31-28-13-18(10-11-33(26)28)19-2-9-27(30-15-19)34-21-4-5-22(34)7-6-21/h2-3,8-16,21-22H,4-7H2,1H3.
What are the key properties of 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline?
4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline has a molecular weight of 449.53 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-6-fluoro-2-methylquinoline is sourced from PubChem (CID 139326721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).