4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

C28H23F2N5 — CID 139326880

IUPAC4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CC6(C5)CC(F)(F)C6)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C28H23F2N5/c1-18-10-22(21-4-2-3-5-23(21)33-18)24-13-32-26-11-19(8-9-35(24)26)20-6-7-25(31-12-20)34-16-27(17-34)14-28(29,30)15-27/h2-13H,14-17H2,1H3
InChIKeyDXCNEMABPLVLFJ-UHFFFAOYSA-N
MW467.52 g/mol
LogP6.16
Rot. Bonds3

About 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (PubChem CID 139326880) has the molecular formula C28H23F2N5 and a molecular weight of 467.52 g/mol. Its IUPAC name is 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
PubChem CID139326880
Molecular FormulaC28H23F2N5
Molecular Weight467.52 g/mol
Exact Mass467.19
IUPAC Name4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CC6(C5)CC(F)(F)C6)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C28H23F2N5/c1-18-10-22(21-4-2-3-5-23(21)33-18)24-13-32-26-11-19(8-9-35(24)26)20-6-7-25(31-12-20)34-16-27(17-34)14-28(29,30)15-27/h2-13H,14-17H2,1H3
InChIKeyDXCNEMABPLVLFJ-UHFFFAOYSA-N
XLogP6.16
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The IUPAC name of 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (CID 139326880) is 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.
What is the SMILES notation for 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The canonical SMILES for 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CC6(C5)CC(F)(F)C6)nc4)ccn23)c2ccccc2n1.
What is the InChIKey of 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The InChIKey is DXCNEMABPLVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5/c1-18-10-22(21-4-2-3-5-23(21)33-18)24-13-32-26-11-19(8-9-35(24)26)20-6-7-25(31-12-20)34-16-27(17-34)14-28(29,30)15-27/h2-13H,14-17H2,1H3.
What are the key properties of 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline has a molecular weight of 467.52 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[6-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is sourced from PubChem (CID 139326880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).