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

C19H21F2N5 — CID 166961580

IUPAC6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine
SMILESCC1(C)NCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C19H21F2N5/c1-19(2)15(8-9-23-19)25-16-5-3-4-13(24-16)14-10-22-17-7-6-12(18(20)21)11-26(14)17/h3-7,10-11,15,18,23H,8-9H2,1-2H3,(H,24,25)
InChIKeyVHSYEXAGYXKQAC-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.89
Rot. Bonds4

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

6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine (PubChem CID 166961580) has the molecular formula C19H21F2N5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine
PubChem CID166961580
Molecular FormulaC19H21F2N5
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine
SMILESCC1(C)NCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C19H21F2N5/c1-19(2)15(8-9-23-19)25-16-5-3-4-13(24-16)14-10-22-17-7-6-12(18(20)21)11-26(14)17/h3-7,10-11,15,18,23H,8-9H2,1-2H3,(H,24,25)
InChIKeyVHSYEXAGYXKQAC-UHFFFAOYSA-N
XLogP3.89
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine (CID 166961580) is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine is CC1(C)NCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is VHSYEXAGYXKQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5/c1-19(2)15(8-9-23-19)25-16-5-3-4-13(24-16)14-10-22-17-7-6-12(18(20)21)11-26(14)17/h3-7,10-11,15,18,23H,8-9H2,1-2H3,(H,24,25).
What are the key properties of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine?
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 357.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 166961580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).