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

C60H59FN16S3 — CID 159568105

IUPAC6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile
SMILESCCc1cc(-c2cc3sc(C4CCNCC4)nc3cn2)cc2cn(C)nc12.Cn1cc2cc(-c3cc4sc(C5CCNCC5)nc4cn3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(C5CCNCC5)nc4cn3)cc(F)c2n1
InChIInChI=1S/C21H23N5S.C20H18N6S.C19H18FN5S/c1-3-13-8-15(9-16-12-26(2)25-20(13)16)17-10-19-18(11-23-17)24-21(27-19)14-4-6-22-7-5-14;1-26-11-15-7-13(6-14(9-21)19(15)25-26)16-8-18-17(10-23-16)24-20(27-18)12-2-4-22-5-3-12;1-25-10-13-6-12(7-14(20)18(13)24-25)15-8-17-16(9-22-15)23-19(26-17)11-2-4-21-5-3-11/h8-12,14,22H,3-7H2,1-2H3;6-8,10-12,22H,2-5H2,1H3;6-11,21H,2-5H2,1H3
InChIKeyMHLPDQMIVNLGAP-UHFFFAOYSA-N
MW1119.44 g/mol
LogP11.71
Rot. Bonds7

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

6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile (PubChem CID 159568105) has the molecular formula C60H59FN16S3 and a molecular weight of 1119.44 g/mol. Its IUPAC name is 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile.

Molecular Properties

Compound Name6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile
PubChem CID159568105
Molecular FormulaC60H59FN16S3
Molecular Weight1119.44 g/mol
Exact Mass1118.43
IUPAC Name6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile
SMILESCCc1cc(-c2cc3sc(C4CCNCC4)nc3cn2)cc2cn(C)nc12.Cn1cc2cc(-c3cc4sc(C5CCNCC5)nc4cn3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(C5CCNCC5)nc4cn3)cc(F)c2n1
InChIInChI=1S/C21H23N5S.C20H18N6S.C19H18FN5S/c1-3-13-8-15(9-16-12-26(2)25-20(13)16)17-10-19-18(11-23-17)24-21(27-19)14-4-6-22-7-5-14;1-26-11-15-7-13(6-14(9-21)19(15)25-26)16-8-18-17(10-23-16)24-20(27-18)12-2-4-22-5-3-12;1-25-10-13-6-12(7-14(20)18(13)24-25)15-8-17-16(9-22-15)23-19(26-17)11-2-4-21-5-3-11/h8-12,14,22H,3-7H2,1-2H3;6-8,10-12,22H,2-5H2,1H3;6-11,21H,2-5H2,1H3
InChIKeyMHLPDQMIVNLGAP-UHFFFAOYSA-N
XLogP11.71
TPSA190.68 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.44
LogP ≤ 511.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[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-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
The IUPAC name of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile (CID 159568105) is 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile.
What is the SMILES notation for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
The canonical SMILES for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile is CCc1cc(-c2cc3sc(C4CCNCC4)nc3cn2)cc2cn(C)nc12.Cn1cc2cc(-c3cc4sc(C5CCNCC5)nc4cn3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(C5CCNCC5)nc4cn3)cc(F)c2n1.
What is the InChIKey of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
The InChIKey is MHLPDQMIVNLGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S.C20H18N6S.C19H18FN5S/c1-3-13-8-15(9-16-12-26(2)25-20(13)16)17-10-19-18(11-23-17)24-21(27-19)14-4-6-22-7-5-14;1-26-11-15-7-13(6-14(9-21)19(15)25-26)16-8-18-17(10-23-16)24-20(27-18)12-2-4-22-5-3-12;1-25-10-13-6-12(7-14(20)18(13)24-25)15-8-17-16(9-22-15)23-19(26-17)11-2-4-21-5-3-11/h8-12,14,22H,3-7H2,1-2H3;6-8,10-12,22H,2-5H2,1H3;6-11,21H,2-5H2,1H3.
What are the key properties of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile?
6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile has a molecular weight of 1119.44 g/mol, XLogP of 11.71, 7 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine;2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)indazole-7-carbonitrile is sourced from PubChem (CID 159568105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).