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

C28H27FN6O4 — CID 162769753

IUPAC5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ncc(OC2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)CC2)cc1F
InChIInChI=1S/C28H27FN6O4/c1-37-27-23(29)10-22(16-33-27)39-20-4-8-34(9-5-20)25-3-2-18(14-31-25)24-11-21(38-17-28(36)6-7-28)12-26-32-15-19(13-30)35(24)26/h2-3,10-12,14-16,20,36H,4-9,17H2,1H3
InChIKeyJOAZYWHBZSUCPW-UHFFFAOYSA-N
MW530.56 g/mol
LogP3.76
Rot. Bonds8

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

5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 162769753) has the molecular formula C28H27FN6O4 and a molecular weight of 530.56 g/mol. Its IUPAC name is 5-[6-[4-[(5-fluoro-6-methoxy-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-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID162769753
Molecular FormulaC28H27FN6O4
Molecular Weight530.56 g/mol
Exact Mass530.21
IUPAC Name5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ncc(OC2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)CC2)cc1F
InChIInChI=1S/C28H27FN6O4/c1-37-27-23(29)10-22(16-33-27)39-20-4-8-34(9-5-20)25-3-2-18(14-31-25)24-11-21(38-17-28(36)6-7-28)12-26-32-15-19(13-30)35(24)26/h2-3,10-12,14-16,20,36H,4-9,17H2,1H3
InChIKeyJOAZYWHBZSUCPW-UHFFFAOYSA-N
XLogP3.76
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[6-[4-[(5-fluoro-6-methoxy-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-[(5-fluoro-6-methoxy-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-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (CID 162769753) is 5-[6-[4-[(5-fluoro-6-methoxy-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-[(5-fluoro-6-methoxy-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-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is COc1ncc(OC2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)CC2)cc1F.
What is the InChIKey of 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is JOAZYWHBZSUCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O4/c1-37-27-23(29)10-22(16-33-27)39-20-4-8-34(9-5-20)25-3-2-18(14-31-25)24-11-21(38-17-28(36)6-7-28)12-26-32-15-19(13-30)35(24)26/h2-3,10-12,14-16,20,36H,4-9,17H2,1H3.
What are the key properties of 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 530.56 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162769753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).