5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

C29H31FN6O3 — CID 163643773

IUPAC5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(F)c1ccc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C29H31FN6O3/c1-19(30)25-6-5-23(17-32-25)39-22-8-10-35(11-9-22)27-7-4-20(15-33-27)26-12-24(38-18-29(2,3)37)13-28-34-16-21(14-31)36(26)28/h4-7,12-13,15-17,19,22,37H,8-11,18H2,1-3H3
InChIKeyJLJLMZSCSPNQES-UHFFFAOYSA-N
MW530.60 g/mol
LogP4.89
Rot. Bonds8

About 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 163643773) has the molecular formula C29H31FN6O3 and a molecular weight of 530.60 g/mol. Its IUPAC name is 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID163643773
Molecular FormulaC29H31FN6O3
Molecular Weight530.60 g/mol
Exact Mass530.24
IUPAC Name5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(F)c1ccc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C29H31FN6O3/c1-19(30)25-6-5-23(17-32-25)39-22-8-10-35(11-9-22)27-7-4-20(15-33-27)26-12-24(38-18-29(2,3)37)13-28-34-16-21(14-31)36(26)28/h4-7,12-13,15-17,19,22,37H,8-11,18H2,1-3H3
InChIKeyJLJLMZSCSPNQES-UHFFFAOYSA-N
XLogP4.89
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

Sch 28080
CID 108137
Gdc-0425
CID 58266779
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
Tyk2-IN-14
CID 138560421
(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]phenyl)-imidazo[1,2-a]pyridine
CID 10551197
7H-8,9-dihydropyrano[2,3c]imidazo[1,2-a]pyridine
CID 13338270
3-(9-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25073385
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(piperidin-4-yloxy)quinoline
CID 25097876
2-((2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinolin-8-yloxy)methyl)morpholine
CID 25098159
2-[7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline
CID 25098428

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (CID 163643773) is 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is CC(F)c1ccc(OC2CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cn1.
What is the InChIKey of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is JLJLMZSCSPNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O3/c1-19(30)25-6-5-23(17-32-25)39-22-8-10-35(11-9-22)27-7-4-20(15-33-27)26-12-24(38-18-29(2,3)37)13-28-34-16-21(14-31)36(26)28/h4-7,12-13,15-17,19,22,37H,8-11,18H2,1-3H3.
What are the key properties of 5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-[[6-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 530.60 g/mol, XLogP of 4.89, 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-(1-fluoroethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163643773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).