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

C40H46F4N10 — CID 169129916

IUPAC6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine
SMILESCC1(C)CNCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1.CC1(C)CNCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/2C20H23F2N5/c2*1-20(2)12-23-9-8-16(20)26-17-5-3-4-14(25-17)15-10-24-18-7-6-13(19(21)22)11-27(15)18/h2*3-7,10-11,16,19,23H,8-9,12H2,1-2H3,(H,25,26)
InChIKeySDWKBRUIOVMGJA-UHFFFAOYSA-N
MW742.87 g/mol
LogP8.27
Rot. Bonds8

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

6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine (PubChem CID 169129916) has the molecular formula C40H46F4N10 and a molecular weight of 742.87 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine
PubChem CID169129916
Molecular FormulaC40H46F4N10
Molecular Weight742.87 g/mol
Exact Mass742.38
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine
SMILESCC1(C)CNCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1.CC1(C)CNCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/2C20H23F2N5/c2*1-20(2)12-23-9-8-16(20)26-17-5-3-4-14(25-17)15-10-24-18-7-6-13(19(21)22)11-27(15)18/h2*3-7,10-11,16,19,23H,8-9,12H2,1-2H3,(H,25,26)
InChIKeySDWKBRUIOVMGJA-UHFFFAOYSA-N
XLogP8.27
TPSA108.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.87
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine (CID 169129916) is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine is CC1(C)CNCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1.CC1(C)CNCCC1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is SDWKBRUIOVMGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23F2N5/c2*1-20(2)12-23-9-8-16(20)26-17-5-3-4-14(25-17)15-10-24-18-7-6-13(19(21)22)11-27(15)18/h2*3-7,10-11,16,19,23H,8-9,12H2,1-2H3,(H,25,26).
What are the key properties of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine?
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 742.87 g/mol, XLogP of 8.27, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 169129916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).