N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine

C20H21F2N5O — CID 163902302

IUPACN-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine
SMILESFC(F)Oc1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
InChIInChI=1S/C20H21F2N5O/c21-19(22)28-14-4-5-18-24-9-16(27(18)10-14)15-2-1-3-17(26-15)25-13-6-7-20(8-13)11-23-12-20/h1-5,9-10,13,19,23H,6-8,11-12H2,(H,25,26)
InChIKeyQKXDICQFNATVHN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.55
Rot. Bonds5

About N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine

N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine (PubChem CID 163902302) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine.

Molecular Properties

Compound NameN-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine
PubChem CID163902302
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC NameN-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine
SMILESFC(F)Oc1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1
InChIInChI=1S/C20H21F2N5O/c21-19(22)28-14-4-5-18-24-9-16(27(18)10-14)15-2-1-3-17(26-15)25-13-6-7-20(8-13)11-23-12-20/h1-5,9-10,13,19,23H,6-8,11-12H2,(H,25,26)
InChIKeyQKXDICQFNATVHN-UHFFFAOYSA-N
XLogP3.55
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
The IUPAC name of N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine (CID 163902302) is N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine.
What is the SMILES notation for N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
The canonical SMILES for N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine is FC(F)Oc1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1.
What is the InChIKey of N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
The InChIKey is QKXDICQFNATVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c21-19(22)28-14-4-5-18-24-9-16(27(18)10-14)15-2-1-3-17(26-15)25-13-6-7-20(8-13)11-23-12-20/h1-5,9-10,13,19,23H,6-8,11-12H2,(H,25,26).
What are the key properties of N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine has a molecular weight of 385.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 163902302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).