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

C27H25F3N6O4 — CID 161358189

IUPAC5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(OC2CCN(c3ccc(-c4cc(OCC(O)C(F)(F)F)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C27H25F3N6O4/c1-38-26-5-3-20(15-34-26)40-19-6-8-35(9-7-19)24-4-2-17(13-32-24)22-10-21(39-16-23(37)27(28,29)30)11-25-33-14-18(12-31)36(22)25/h2-5,10-11,13-15,19,23,37H,6-9,16H2,1H3
InChIKeyVOUYQPRDYZOKDO-UHFFFAOYSA-N
MW554.53 g/mol
LogP4.02
Rot. Bonds8

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

5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 161358189) has the molecular formula C27H25F3N6O4 and a molecular weight of 554.53 g/mol. Its IUPAC name is 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID161358189
Molecular FormulaC27H25F3N6O4
Molecular Weight554.53 g/mol
Exact Mass554.19
IUPAC Name5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(OC2CCN(c3ccc(-c4cc(OCC(O)C(F)(F)F)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C27H25F3N6O4/c1-38-26-5-3-20(15-34-26)40-19-6-8-35(9-7-19)24-4-2-17(13-32-24)22-10-21(39-16-23(37)27(28,29)30)11-25-33-14-18(12-31)36(22)25/h2-5,10-11,13-15,19,23,37H,6-9,16H2,1H3
InChIKeyVOUYQPRDYZOKDO-UHFFFAOYSA-N
XLogP4.02
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)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-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (CID 161358189) is 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(OC2CCN(c3ccc(-c4cc(OCC(O)C(F)(F)F)cc5ncc(C#N)n45)cn3)CC2)cn1.
What is the InChIKey of 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is VOUYQPRDYZOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6O4/c1-38-26-5-3-20(15-34-26)40-19-6-8-35(9-7-19)24-4-2-17(13-32-24)22-10-21(39-16-23(37)27(28,29)30)11-25-33-14-18(12-31)36(22)25/h2-5,10-11,13-15,19,23,37H,6-9,16H2,1H3.
What are the key properties of 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 554.53 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-(3,3,3-trifluoro-2-hydroxypropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 161358189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).