6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)

C124H108ClFN18O7 — CID 165051052

IUPAC6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)
SMILESCOc1ccccc1NCc1cncc(-c2ccc3c(c2)NC(=O)C3)c1.Cc1ccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)cc1.Cc1ccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)cc1.Cc1cccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)c1.O=C1Cc2ccc(-c3cncc(CNc4ccccc4Cl)c3)cc2N1.O=C1Cc2ccc(-c3cncc(CNc4ccccc4F)c3)cc2N1
InChIInChI=1S/C21H19N3O2.3C21H19N3O.C20H16ClN3O.C20H16FN3O/c1-26-20-5-3-2-4-18(20)23-12-14-8-17(13-22-11-14)15-6-7-16-10-21(25)24-19(16)9-15;2*1-14-2-6-19(7-3-14)23-12-15-8-18(13-22-11-15)16-4-5-17-10-21(25)24-20(17)9-16;1-14-3-2-4-19(7-14)23-12-15-8-18(13-22-11-15)16-5-6-17-10-21(25)24-20(17)9-16;2*21-17-3-1-2-4-18(17)23-11-13-7-16(12-22-10-13)14-5-6-15-9-20(25)24-19(15)8-14/h2-9,11,13,23H,10,12H2,1H3,(H,24,25);3*2-9,11,13,23H,10,12H2,1H3,(H,24,25);2*1-8,10,12,23H,9,11H2,(H,24,25)
InChIKeyPQWYBSZICKJIPV-UHFFFAOYSA-N
MW2016.80 g/mol
LogP24.86
Rot. Bonds25

About 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)

6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one) (PubChem CID 165051052) has the molecular formula C124H108ClFN18O7 and a molecular weight of 2016.80 g/mol. Its IUPAC name is 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one).

Molecular Properties

Compound Name6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)
PubChem CID165051052
Molecular FormulaC124H108ClFN18O7
Molecular Weight2016.80 g/mol
Exact Mass2014.83
IUPAC Name6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)
SMILESCOc1ccccc1NCc1cncc(-c2ccc3c(c2)NC(=O)C3)c1.Cc1ccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)cc1.Cc1ccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)cc1.Cc1cccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)c1.O=C1Cc2ccc(-c3cncc(CNc4ccccc4Cl)c3)cc2N1.O=C1Cc2ccc(-c3cncc(CNc4ccccc4F)c3)cc2N1
InChIInChI=1S/C21H19N3O2.3C21H19N3O.C20H16ClN3O.C20H16FN3O/c1-26-20-5-3-2-4-18(20)23-12-14-8-17(13-22-11-14)15-6-7-16-10-21(25)24-19(16)9-15;2*1-14-2-6-19(7-3-14)23-12-15-8-18(13-22-11-15)16-4-5-17-10-21(25)24-20(17)9-16;1-14-3-2-4-19(7-14)23-12-15-8-18(13-22-11-15)16-5-6-17-10-21(25)24-20(17)9-16;2*21-17-3-1-2-4-18(17)23-11-13-7-16(12-22-10-13)14-5-6-15-9-20(25)24-19(15)8-14/h2-9,11,13,23H,10,12H2,1H3,(H,24,25);3*2-9,11,13,23H,10,12H2,1H3,(H,24,25);2*1-8,10,12,23H,9,11H2,(H,24,25)
InChIKeyPQWYBSZICKJIPV-UHFFFAOYSA-N
XLogP24.86
TPSA333.35 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002016.80
LogP ≤ 524.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one) with MolForge

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Launch Full Analysis

Related Compounds

8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 158308008
8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 161236199
1-ethyl-5-(5-fluoro-3-pyridinyl)-3H-indol-2-one;1-ethyl-5-pyridin-3-yl-3H-indol-2-one;5-(5-fluoro-3-pyridinyl)-1,3-dihydroindol-2-one;5-(5-fluoro-3-pyridinyl)-1-methyl-3H-indol-2-one;5-(5-methoxy-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-5-pyridin-3-yl-3H-indol-2-one
CID 159570838
6-[2-(2-Chloroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(2-fluoroanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(6-[2-(3-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one);6-[2-(4-methylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-(3-phenylpropylamino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163947241
5-[5-[(3-Acetylphenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one;5-[5-[(2-chlorophenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one;5-[5-[(3-ethynylphenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one;5-[5-[(4-ethynylphenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one;5-[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(5-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one);5-[5-[(4-methylphenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one;5-[5-[(4-phenylphenyl)methylamino]-3-pyridinyl]-1,3-dihydroindol-2-one
CID 165070490
6-[5-[(1S)-1-amino-2-phenylethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(1R)-1-amino-2-phenylethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-ethylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(4-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one
CID 165098739

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)?
The IUPAC name of 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one) (CID 165051052) is 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one).
What is the SMILES notation for 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)?
The canonical SMILES for 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one) is COc1ccccc1NCc1cncc(-c2ccc3c(c2)NC(=O)C3)c1.Cc1ccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)cc1.Cc1ccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)cc1.Cc1cccc(NCc2cncc(-c3ccc4c(c3)NC(=O)C4)c2)c1.O=C1Cc2ccc(-c3cncc(CNc4ccccc4Cl)c3)cc2N1.O=C1Cc2ccc(-c3cncc(CNc4ccccc4F)c3)cc2N1.
What is the InChIKey of 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)?
The InChIKey is PQWYBSZICKJIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2.3C21H19N3O.C20H16ClN3O.C20H16FN3O/c1-26-20-5-3-2-4-18(20)23-12-14-8-17(13-22-11-14)15-6-7-16-10-21(25)24-19(16)9-15;2*1-14-2-6-19(7-3-14)23-12-15-8-18(13-22-11-15)16-4-5-17-10-21(25)24-20(17)9-16;1-14-3-2-4-19(7-14)23-12-15-8-18(13-22-11-15)16-5-6-17-10-21(25)24-20(17)9-16;2*21-17-3-1-2-4-18(17)23-11-13-7-16(12-22-10-13)14-5-6-15-9-20(25)24-19(15)8-14/h2-9,11,13,23H,10,12H2,1H3,(H,24,25);3*2-9,11,13,23H,10,12H2,1H3,(H,24,25);2*1-8,10,12,23H,9,11H2,(H,24,25).
What are the key properties of 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one)?
6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one) has a molecular weight of 2016.80 g/mol, XLogP of 24.86, 25 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2-chloroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-fluoroanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(2-methoxyanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;6-[5-[(3-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one;bis(6-[5-[(4-methylanilino)methyl]-3-pyridinyl]-1,3-dihydroindol-2-one) is sourced from PubChem (CID 165051052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).