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

C28H27FN6O4 — CID 161106704

IUPAC5-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(OC2CCN(c3ncc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cc3F)CC2)cn1
InChIInChI=1S/C28H27FN6O4/c1-37-26-3-2-21(16-32-26)39-20-4-8-34(9-5-20)27-23(29)10-18(14-33-27)24-11-22(38-17-28(36)6-7-28)12-25-31-15-19(13-30)35(24)25/h2-3,10-12,14-16,20,36H,4-9,17H2,1H3
InChIKeyUJDKAPBFQOUUMT-UHFFFAOYSA-N
MW530.56 g/mol
LogP3.76
Rot. Bonds8

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

5-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 161106704) has the molecular formula C28H27FN6O4 and a molecular weight of 530.56 g/mol. Its IUPAC name is 5-[5-fluoro-6-[4-[(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-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID161106704
Molecular FormulaC28H27FN6O4
Molecular Weight530.56 g/mol
Exact Mass530.21
IUPAC Name5-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(OC2CCN(c3ncc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cc3F)CC2)cn1
InChIInChI=1S/C28H27FN6O4/c1-37-26-3-2-21(16-32-26)39-20-4-8-34(9-5-20)27-23(29)10-18(14-33-27)24-11-22(38-17-28(36)6-7-28)12-25-31-15-19(13-30)35(24)25/h2-3,10-12,14-16,20,36H,4-9,17H2,1H3
InChIKeyUJDKAPBFQOUUMT-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-[5-fluoro-6-[4-[(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-[5-fluoro-6-[4-[(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-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (CID 161106704) is 5-[5-fluoro-6-[4-[(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-[5-fluoro-6-[4-[(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-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(OC2CCN(c3ncc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cc3F)CC2)cn1.
What is the InChIKey of 5-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is UJDKAPBFQOUUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O4/c1-37-26-3-2-21(16-32-26)39-20-4-8-34(9-5-20)27-23(29)10-18(14-33-27)24-11-22(38-17-28(36)6-7-28)12-25-31-15-19(13-30)35(24)25/h2-3,10-12,14-16,20,36H,4-9,17H2,1H3.
What are the key properties of 5-[5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
5-[5-fluoro-6-[4-[(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-[5-fluoro-6-[4-[(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 161106704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).