4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C26H26N8O2 — CID 177261903

IUPAC4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCn1ccc2c(-c3ncc(Nc4ccc5c(n4)CNC[C@H]4COCCN54)c4c3CNC4=O)ccnc21
InChIInChI=1S/C26H26N8O2/c1-33-7-5-17-16(4-6-28-25(17)33)24-18-11-30-26(35)23(18)20(13-29-24)32-22-3-2-21-19(31-22)12-27-10-15-14-36-9-8-34(15)21/h2-7,13,15,27H,8-12,14H2,1H3,(H,30,35)(H,31,32)/t15-/m0/s1
InChIKeyYTKZXVYHBKMSBR-HNNXBMFYSA-N
MW482.55 g/mol
LogP2.33
Rot. Bonds3

About 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 177261903) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID177261903
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCn1ccc2c(-c3ncc(Nc4ccc5c(n4)CNC[C@H]4COCCN54)c4c3CNC4=O)ccnc21
InChIInChI=1S/C26H26N8O2/c1-33-7-5-17-16(4-6-28-25(17)33)24-18-11-30-26(35)23(18)20(13-29-24)32-22-3-2-21-19(31-22)12-27-10-15-14-36-9-8-34(15)21/h2-7,13,15,27H,8-12,14H2,1H3,(H,30,35)(H,31,32)/t15-/m0/s1
InChIKeyYTKZXVYHBKMSBR-HNNXBMFYSA-N
XLogP2.33
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 159866533
(6R)-9-methyl-12-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one
CID 177261656
7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652153
7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 177261678
4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one
CID 158256809
7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 177262026
7-[[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[(5R)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[(5S)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one
CID 158384947
7-[[3-[3-[7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrazin-7-ium-7-yl]-5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156651887
7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2H-isoindol-1-one;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(1-methylindol-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
CID 161398817
7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-[1-[[(6S)-4-[6-[[4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-3-pyridinyl]-6-(2-hydroxypropan-2-yl)morpholin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652228
tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;bis(tert-butyl 7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate);tert-butyl 7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 162150077
4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one
CID 158344195

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 177261903) is 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is Cn1ccc2c(-c3ncc(Nc4ccc5c(n4)CNC[C@H]4COCCN54)c4c3CNC4=O)ccnc21.
What is the InChIKey of 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YTKZXVYHBKMSBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-33-7-5-17-16(4-6-28-25(17)33)24-18-11-30-26(35)23(18)20(13-29-24)32-22-3-2-21-19(31-22)12-27-10-15-14-36-9-8-34(15)21/h2-7,13,15,27H,8-12,14H2,1H3,(H,30,35)(H,31,32)/t15-/m0/s1.
What are the key properties of 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 482.55 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 177261903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).