6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline

C67H67N13 — CID 158959919

IUPAC6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
SMILESCN1CCC(c2ccc3cc(-c4ccc5nn(C)cc5c4)ccc3n2)CC1.Cc1cc(C2CCNCC2)nc2ccc(-c3ccc4nn(C)cc4c3)cc12.Cn1cc2cc(-c3cc4ccc(C5=CCNCC5)cc4nn3)ccc2n1
InChIInChI=1S/2C23H24N4.C21H19N5/c1-26-11-9-16(10-12-26)21-7-5-19-13-17(3-6-22(19)24-21)18-4-8-23-20(14-18)15-27(2)25-23;1-15-11-23(16-7-9-24-10-8-16)25-22-6-4-18(13-20(15)22)17-3-5-21-19(12-17)14-27(2)26-21;1-26-13-18-10-16(4-5-19(18)25-26)21-12-17-3-2-15(11-20(17)23-24-21)14-6-8-22-9-7-14/h3-8,13-16H,9-12H2,1-2H3;3-6,11-14,16,24H,7-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3
InChIKeyJMMIJJSPSBIANV-UHFFFAOYSA-N
MW1054.36 g/mol
LogP12.72
Rot. Bonds6

About 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline

6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline (PubChem CID 158959919) has the molecular formula C67H67N13 and a molecular weight of 1054.36 g/mol. Its IUPAC name is 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline.

Molecular Properties

Compound Name6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
PubChem CID158959919
Molecular FormulaC67H67N13
Molecular Weight1054.36 g/mol
Exact Mass1053.56
IUPAC Name6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
SMILESCN1CCC(c2ccc3cc(-c4ccc5nn(C)cc5c4)ccc3n2)CC1.Cc1cc(C2CCNCC2)nc2ccc(-c3ccc4nn(C)cc4c3)cc12.Cn1cc2cc(-c3cc4ccc(C5=CCNCC5)cc4nn3)ccc2n1
InChIInChI=1S/2C23H24N4.C21H19N5/c1-26-11-9-16(10-12-26)21-7-5-19-13-17(3-6-22(19)24-21)18-4-8-23-20(14-18)15-27(2)25-23;1-15-11-23(16-7-9-24-10-8-16)25-22-6-4-18(13-20(15)22)17-3-5-21-19(12-17)14-27(2)26-21;1-26-13-18-10-16(4-5-19(18)25-26)21-12-17-3-2-15(11-20(17)23-24-21)14-6-8-22-9-7-14/h3-8,13-16H,9-12H2,1-2H3;3-6,11-14,16,24H,7-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3
InChIKeyJMMIJJSPSBIANV-UHFFFAOYSA-N
XLogP12.72
TPSA132.32 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001054.36
LogP ≤ 512.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline with MolForge

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Related Compounds

7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164610927
4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223297
6-[[6-(1-Methylpyrazol-4-yl)indazol-1-yl]methyl]quinoline
CID 71739682
N-(4-methylphenyl)-7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-amine
CID 137649302
Ergoline, 6-methyl-8-(1-phenyl-1H-pyrazol-5-yl)-, (8-beta)-
CID 3088105
6-Methyl-8-(1-phenyl-1H-pyrazol-3-yl)ergoline
CID 3088106
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(4-propan-2-ylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164626794
US10660877, Example 440
CID 134329693
Ergoline, 6-methyl-8-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)-, (8-alpha)-
CID 3074674
Ergoline, 6-methyl-8-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)-, (8-beta)-
CID 3087589
6-[[6-(1-Methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline
CID 71739813
Ru(II)(phen)2(phen-cyclen-2H+)
CID 16683884

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
The IUPAC name of 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline (CID 158959919) is 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline.
What is the SMILES notation for 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
The canonical SMILES for 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline is CN1CCC(c2ccc3cc(-c4ccc5nn(C)cc5c4)ccc3n2)CC1.Cc1cc(C2CCNCC2)nc2ccc(-c3ccc4nn(C)cc4c3)cc12.Cn1cc2cc(-c3cc4ccc(C5=CCNCC5)cc4nn3)ccc2n1.
What is the InChIKey of 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
The InChIKey is JMMIJJSPSBIANV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24N4.C21H19N5/c1-26-11-9-16(10-12-26)21-7-5-19-13-17(3-6-22(19)24-21)18-4-8-23-20(14-18)15-27(2)25-23;1-15-11-23(16-7-9-24-10-8-16)25-22-6-4-18(13-20(15)22)17-3-5-21-19(12-17)14-27(2)26-21;1-26-13-18-10-16(4-5-19(18)25-26)21-12-17-3-2-15(11-20(17)23-24-21)14-6-8-22-9-7-14/h3-8,13-16H,9-12H2,1-2H3;3-6,11-14,16,24H,7-10H2,1-2H3;2-6,10-13,22H,7-9H2,1H3.
What are the key properties of 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline?
6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline has a molecular weight of 1054.36 g/mol, XLogP of 12.72, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline is sourced from PubChem (CID 158959919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).