3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C20H18F3N7 — CID 169129496

IUPAC3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFc1cc(F)c(-c2cnc3cc(-c4ncc[nH]4)ccn23)nc1NC1CNCCC1F
InChIInChI=1S/C20H18F3N7/c21-12-1-3-24-9-15(12)28-20-14(23)8-13(22)18(29-20)16-10-27-17-7-11(2-6-30(16)17)19-25-4-5-26-19/h2,4-8,10,12,15,24H,1,3,9H2,(H,25,26)(H,28,29)
InChIKeyGYJKRVRIQOLCJP-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.18
Rot. Bonds4

About 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 169129496) has the molecular formula C20H18F3N7 and a molecular weight of 413.41 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID169129496
Molecular FormulaC20H18F3N7
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC Name3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFc1cc(F)c(-c2cnc3cc(-c4ncc[nH]4)ccn23)nc1NC1CNCCC1F
InChIInChI=1S/C20H18F3N7/c21-12-1-3-24-9-15(12)28-20-14(23)8-13(22)18(29-20)16-10-27-17-7-11(2-6-30(16)17)19-25-4-5-26-19/h2,4-8,10,12,15,24H,1,3,9H2,(H,25,26)(H,28,29)
InChIKeyGYJKRVRIQOLCJP-UHFFFAOYSA-N
XLogP3.18
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 169129496) is 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is Fc1cc(F)c(-c2cnc3cc(-c4ncc[nH]4)ccn23)nc1NC1CNCCC1F.
What is the InChIKey of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is GYJKRVRIQOLCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7/c21-12-1-3-24-9-15(12)28-20-14(23)8-13(22)18(29-20)16-10-27-17-7-11(2-6-30(16)17)19-25-4-5-26-19/h2,4-8,10,12,15,24H,1,3,9H2,(H,25,26)(H,28,29).
What are the key properties of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 413.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 169129496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).