6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine

C17H15F4N5 — CID 166961551

IUPAC6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2c1
InChIInChI=1S/C17H15F4N5/c18-16(19)10-4-5-15-23-6-12(26(15)8-10)11-2-1-3-14(24-11)25-13-7-22-9-17(13,20)21/h1-6,8,13,16,22H,7,9H2,(H,24,25)
InChIKeyDUOPMZXNVCHSKJ-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.35
Rot. Bonds4

About 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine

6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine (PubChem CID 166961551) has the molecular formula C17H15F4N5 and a molecular weight of 365.33 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine
PubChem CID166961551
Molecular FormulaC17H15F4N5
Molecular Weight365.33 g/mol
Exact Mass365.13
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2c1
InChIInChI=1S/C17H15F4N5/c18-16(19)10-4-5-15-23-6-12(26(15)8-10)11-2-1-3-14(24-11)25-13-7-22-9-17(13,20)21/h1-6,8,13,16,22H,7,9H2,(H,24,25)
InChIKeyDUOPMZXNVCHSKJ-UHFFFAOYSA-N
XLogP3.35
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.35
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-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine (CID 166961551) is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine is FC(F)c1ccc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2c1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is DUOPMZXNVCHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5/c18-16(19)10-4-5-15-23-6-12(26(15)8-10)11-2-1-3-14(24-11)25-13-7-22-9-17(13,20)21/h1-6,8,13,16,22H,7,9H2,(H,24,25).
What are the key properties of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine?
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 365.33 g/mol, XLogP of 3.35, 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-(4,4-difluoropyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 166961551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).