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

C23H24F3N5 — CID 163815527

IUPACN-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine
SMILESFC(F)(F)C1(c2ccc3ncc(-c4cccc(NC5CCC6(CNC6)C5)n4)n3c2)CC1
InChIInChI=1S/C23H24F3N5/c24-23(25,26)22(8-9-22)15-4-5-20-28-11-18(31(20)12-15)17-2-1-3-19(30-17)29-16-6-7-21(10-16)13-27-14-21/h1-5,11-12,16,27H,6-10,13-14H2,(H,29,30)
InChIKeyNQZRHTLUKLOASK-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.54
Rot. Bonds4

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

N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine (PubChem CID 163815527) has the molecular formula C23H24F3N5 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine.

Molecular Properties

Compound NameN-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine
PubChem CID163815527
Molecular FormulaC23H24F3N5
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC NameN-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine
SMILESFC(F)(F)C1(c2ccc3ncc(-c4cccc(NC5CCC6(CNC6)C5)n4)n3c2)CC1
InChIInChI=1S/C23H24F3N5/c24-23(25,26)22(8-9-22)15-4-5-20-28-11-18(31(20)12-15)17-2-1-3-19(30-17)29-16-6-7-21(10-16)13-27-14-21/h1-5,11-12,16,27H,6-10,13-14H2,(H,29,30)
InChIKeyNQZRHTLUKLOASK-UHFFFAOYSA-N
XLogP4.54
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
The IUPAC name of N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine (CID 163815527) is N-[6-[6-[1-(trifluoromethyl)cyclopropyl]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-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
The canonical SMILES for N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine is FC(F)(F)C1(c2ccc3ncc(-c4cccc(NC5CCC6(CNC6)C5)n4)n3c2)CC1.
What is the InChIKey of N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
The InChIKey is NQZRHTLUKLOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5/c24-23(25,26)22(8-9-22)15-4-5-20-28-11-18(31(20)12-15)17-2-1-3-19(30-17)29-16-6-7-21(10-16)13-27-14-21/h1-5,11-12,16,27H,6-10,13-14H2,(H,29,30).
What are the key properties of N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine?
N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine has a molecular weight of 427.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 163815527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).