6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile

C58H54F2N16O3S3 — CID 157451615

IUPAC6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile
SMILESCc1cn2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(F)c2n1.Cn1cc2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(F)c2n1
InChIInChI=1S/C20H18N6OS.2C19H18FN5OS/c1-26-11-14-7-12(6-13(9-21)19(14)25-26)16-8-18-17(10-23-16)24-20(28-18)27-15-2-4-22-5-3-15;1-25-10-12-6-11(7-14(20)18(12)24-25)15-8-17-16(9-22-15)23-19(27-17)26-13-2-4-21-5-3-13;1-11-9-25-10-12(6-14(20)18(25)23-11)15-7-17-16(8-22-15)24-19(27-17)26-13-2-4-21-5-3-13/h6-8,10-11,15,22H,2-5H2,1H3;2*6-10,13,21H,2-5H2,1H3
InChIKeyBSWDPEGBPSROMG-UHFFFAOYSA-N
MW1157.38 g/mol
LogP10.35
Rot. Bonds9

About 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile

6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile (PubChem CID 157451615) has the molecular formula C58H54F2N16O3S3 and a molecular weight of 1157.38 g/mol. Its IUPAC name is 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile.

Molecular Properties

Compound Name6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile
PubChem CID157451615
Molecular FormulaC58H54F2N16O3S3
Molecular Weight1157.38 g/mol
Exact Mass1156.37
IUPAC Name6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile
SMILESCc1cn2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(F)c2n1.Cn1cc2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(F)c2n1
InChIInChI=1S/C20H18N6OS.2C19H18FN5OS/c1-26-11-14-7-12(6-13(9-21)19(14)25-26)16-8-18-17(10-23-16)24-20(28-18)27-15-2-4-22-5-3-15;1-25-10-12-6-11(7-14(20)18(12)24-25)15-8-17-16(9-22-15)23-19(27-17)26-13-2-4-21-5-3-13;1-11-9-25-10-12(6-14(20)18(25)23-11)15-7-17-16(8-22-15)24-19(27-17)26-13-2-4-21-5-3-13/h6-8,10-11,15,22H,2-5H2,1H3;2*6-10,13,21H,2-5H2,1H3
InChIKeyBSWDPEGBPSROMG-UHFFFAOYSA-N
XLogP10.35
TPSA217.85 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.38
LogP ≤ 510.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
The IUPAC name of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile (CID 157451615) is 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile.
What is the SMILES notation for 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
The canonical SMILES for 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile is Cc1cn2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(F)c2n1.Cn1cc2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(OC5CCNCC5)nc4cn3)cc(F)c2n1.
What is the InChIKey of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
The InChIKey is BSWDPEGBPSROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS.2C19H18FN5OS/c1-26-11-14-7-12(6-13(9-21)19(14)25-26)16-8-18-17(10-23-16)24-20(28-18)27-15-2-4-22-5-3-15;1-25-10-12-6-11(7-14(20)18(12)24-25)15-8-17-16(9-22-15)23-19(27-17)26-13-2-4-21-5-3-13;1-11-9-25-10-12(6-14(20)18(25)23-11)15-7-17-16(8-22-15)24-19(27-17)26-13-2-4-21-5-3-13/h6-8,10-11,15,22H,2-5H2,1H3;2*6-10,13,21H,2-5H2,1H3.
What are the key properties of 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile has a molecular weight of 1157.38 g/mol, XLogP of 10.35, 9 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile is sourced from PubChem (CID 157451615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).