7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one

C77H79N21O3 — CID 158366250

IUPAC7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
SMILESCN1CCN(c2ccc(Nc3ccc(-c4ccnc5[nH]ccc45)c4c3C(=O)NC4)nc2)CC1.Cc1ccc2c(-c3ccc(Nc4ccc(N5CCN(C)CC5)cn4)c4c3CNC4=O)c[nH]c2n1.Cc1cnc2[nH]cc(-c3ccc(Nc4ccc(N5CCN(C)CC5)cn4)c4c3CNC4=O)c2c1
InChIInChI=1S/2C26H27N7O.C25H25N7O/c1-16-11-19-20(14-29-25(19)28-12-16)18-4-5-22(24-21(18)15-30-26(24)34)31-23-6-3-17(13-27-23)33-9-7-32(2)8-10-33;1-16-3-5-19-20(14-28-25(19)30-16)18-6-7-22(24-21(18)15-29-26(24)34)31-23-8-4-17(13-27-23)33-11-9-32(2)10-12-33;1-31-10-12-32(13-11-31)16-2-5-22(28-14-16)30-21-4-3-17(20-15-29-25(33)23(20)21)18-6-8-26-24-19(18)7-9-27-24/h3-6,11-14H,7-10,15H2,1-2H3,(H,27,31)(H,28,29)(H,30,34);3-8,13-14H,9-12,15H2,1-2H3,(H,27,31)(H,28,30)(H,29,34);2-9,14H,10-13,15H2,1H3,(H,26,27)(H,28,30)(H,29,33)
InChIKeyGUBIGUSPEMCJDM-UHFFFAOYSA-N
MW1346.62 g/mol
LogP10.71
Rot. Bonds12

About 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one

7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one (PubChem CID 158366250) has the molecular formula C77H79N21O3 and a molecular weight of 1346.62 g/mol. Its IUPAC name is 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
PubChem CID158366250
Molecular FormulaC77H79N21O3
Molecular Weight1346.62 g/mol
Exact Mass1345.67
IUPAC Name7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
SMILESCN1CCN(c2ccc(Nc3ccc(-c4ccnc5[nH]ccc45)c4c3C(=O)NC4)nc2)CC1.Cc1ccc2c(-c3ccc(Nc4ccc(N5CCN(C)CC5)cn4)c4c3CNC4=O)c[nH]c2n1.Cc1cnc2[nH]cc(-c3ccc(Nc4ccc(N5CCN(C)CC5)cn4)c4c3CNC4=O)c2c1
InChIInChI=1S/2C26H27N7O.C25H25N7O/c1-16-11-19-20(14-29-25(19)28-12-16)18-4-5-22(24-21(18)15-30-26(24)34)31-23-6-3-17(13-27-23)33-9-7-32(2)8-10-33;1-16-3-5-19-20(14-28-25(19)30-16)18-6-7-22(24-21(18)15-29-26(24)34)31-23-8-4-17(13-27-23)33-11-9-32(2)10-12-33;1-31-10-12-32(13-11-31)16-2-5-22(28-14-16)30-21-4-3-17(20-15-29-25(33)23(20)21)18-6-8-26-24-19(18)7-9-27-24/h3-6,11-14H,7-10,15H2,1-2H3,(H,27,31)(H,28,29)(H,30,34);3-8,13-14H,9-12,15H2,1-2H3,(H,27,31)(H,28,30)(H,29,34);2-9,14H,10-13,15H2,1H3,(H,26,27)(H,28,30)(H,29,33)
InChIKeyGUBIGUSPEMCJDM-UHFFFAOYSA-N
XLogP10.71
TPSA267.54 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001346.62
LogP ≤ 510.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(3H-imidazo[4,5-b]pyridin-6-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9873212
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(3H-imidazo[4,5-b]pyridin-6-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9894997
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[4-(3H-imidazo[4,5-b]pyridin-6-yl)-butylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9938925
4-[2-methyl-4-[2-oxo-9-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56669908
3-(3-acetamidoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135145534
4-(7-Fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxy-4-((4-methylpiperazin-1-yl)methyl)pip-eridin-1-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163023
(R)-4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(1-methyl-2-oxopyrrolidin-3-yl)pyridin-2-yl)amino)isoin-dolin-1-one
CID 156163066
4-(7-Fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[6-(4-methylpiperazin-1-yl)-2-pyridyl)amino] isoindolin-1-one
CID 156163241
4-(6-fluoro-1H-indol-3-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino] isoindolin-1-one
CID 156163360
4-(8-Fluoro-7-methylimidazo [1,2-a]pyridin-3-yl)-7-((5-((4-methylpiperazin-1-yl)methyl)pyri-din-2-yl)amino)isoin-dolin-1-one
CID 156163392
4-(5-Fluoro-1-methyl-pyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino] isoindolin-1-one
CID 156163442
4-[l-(Difluorometh-yl)pyrrolo[2,3-b]pyridin-4-yl]-7-[(5-piperazin-1-yl-2-pyridyl)amino] isoindolin-1-one
CID 156163477

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one (CID 158366250) is 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one is CN1CCN(c2ccc(Nc3ccc(-c4ccnc5[nH]ccc45)c4c3C(=O)NC4)nc2)CC1.Cc1ccc2c(-c3ccc(Nc4ccc(N5CCN(C)CC5)cn4)c4c3CNC4=O)c[nH]c2n1.Cc1cnc2[nH]cc(-c3ccc(Nc4ccc(N5CCN(C)CC5)cn4)c4c3CNC4=O)c2c1.
What is the InChIKey of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is GUBIGUSPEMCJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27N7O.C25H25N7O/c1-16-11-19-20(14-29-25(19)28-12-16)18-4-5-22(24-21(18)15-30-26(24)34)31-23-6-3-17(13-27-23)33-9-7-32(2)8-10-33;1-16-3-5-19-20(14-28-25(19)30-16)18-6-7-22(24-21(18)15-29-26(24)34)31-23-8-4-17(13-27-23)33-11-9-32(2)10-12-33;1-31-10-12-32(13-11-31)16-2-5-22(28-14-16)30-21-4-3-17(20-15-29-25(33)23(20)21)18-6-8-26-24-19(18)7-9-27-24/h3-6,11-14H,7-10,15H2,1-2H3,(H,27,31)(H,28,29)(H,30,34);3-8,13-14H,9-12,15H2,1-2H3,(H,27,31)(H,28,30)(H,29,34);2-9,14H,10-13,15H2,1H3,(H,26,27)(H,28,30)(H,29,33).
What are the key properties of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one?
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1346.62 g/mol, XLogP of 10.71, 12 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158366250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).