5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile

C28H26F2N6O3 — CID 162615533

IUPAC5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2cc(OCC3(O)CC3)cc(-c3ccc(N4CCC(Oc5ccc(C(F)F)nc5)CC4)nc3)n12
InChIInChI=1S/C28H26F2N6O3/c29-27(30)23-3-2-21(16-32-23)39-20-5-9-35(10-6-20)25-4-1-18(14-33-25)24-11-22(38-17-28(37)7-8-28)12-26-34-15-19(13-31)36(24)26/h1-4,11-12,14-16,20,27,37H,5-10,17H2
InChIKeyYIJRQXUVFMTWOC-UHFFFAOYSA-N
MW532.55 g/mol
LogP4.55
Rot. Bonds8

About 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 162615533) has the molecular formula C28H26F2N6O3 and a molecular weight of 532.55 g/mol. Its IUPAC name is 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID162615533
Molecular FormulaC28H26F2N6O3
Molecular Weight532.55 g/mol
Exact Mass532.20
IUPAC Name5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2cc(OCC3(O)CC3)cc(-c3ccc(N4CCC(Oc5ccc(C(F)F)nc5)CC4)nc3)n12
InChIInChI=1S/C28H26F2N6O3/c29-27(30)23-3-2-21(16-32-23)39-20-5-9-35(10-6-20)25-4-1-18(14-33-25)24-11-22(38-17-28(37)7-8-28)12-26-34-15-19(13-31)36(24)26/h1-4,11-12,14-16,20,27,37H,5-10,17H2
InChIKeyYIJRQXUVFMTWOC-UHFFFAOYSA-N
XLogP4.55
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (CID 162615533) is 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2cc(OCC3(O)CC3)cc(-c3ccc(N4CCC(Oc5ccc(C(F)F)nc5)CC4)nc3)n12.
What is the InChIKey of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is YIJRQXUVFMTWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O3/c29-27(30)23-3-2-21(16-32-23)39-20-5-9-35(10-6-20)25-4-1-18(14-33-25)24-11-22(38-17-28(37)7-8-28)12-26-34-15-19(13-31)36(24)26/h1-4,11-12,14-16,20,27,37H,5-10,17H2.
What are the key properties of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 532.55 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162615533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).