N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C19H20F3N5O — CID 166961532

IUPACN-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCC1(C)CNCC1Nc1cccc(-c2cnc3cc(OC(F)(F)F)ccn23)n1
InChIInChI=1S/C19H20F3N5O/c1-18(2)11-23-10-15(18)26-16-5-3-4-13(25-16)14-9-24-17-8-12(6-7-27(14)17)28-19(20,21)22/h3-9,15,23H,10-11H2,1-2H3,(H,25,26)
InChIKeyNIWWHEKTVDHXQB-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.70
Rot. Bonds4

About N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 166961532) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID166961532
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC NameN-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCC1(C)CNCC1Nc1cccc(-c2cnc3cc(OC(F)(F)F)ccn23)n1
InChIInChI=1S/C19H20F3N5O/c1-18(2)11-23-10-15(18)26-16-5-3-4-13(25-16)14-9-24-17-8-12(6-7-27(14)17)28-19(20,21)22/h3-9,15,23H,10-11H2,1-2H3,(H,25,26)
InChIKeyNIWWHEKTVDHXQB-UHFFFAOYSA-N
XLogP3.70
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 166961532) is N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is CC1(C)CNCC1Nc1cccc(-c2cnc3cc(OC(F)(F)F)ccn23)n1.
What is the InChIKey of N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is NIWWHEKTVDHXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-18(2)11-23-10-15(18)26-16-5-3-4-13(25-16)14-9-24-17-8-12(6-7-27(14)17)28-19(20,21)22/h3-9,15,23H,10-11H2,1-2H3,(H,25,26).
What are the key properties of N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 391.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpyrrolidin-3-yl)-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).