2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine

C64H70N16O2 — CID 142263034

IUPAC2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCN(C)Cc1ccc2cc(-c3cc(Nc4nc5c(-c6cc7cc(CN(C)CC8CCOCC8)ccc7[nH]6)c(Cc6nc7c(-c8cc9cc(CN(C)C%10CCOCC%10)ccc9[nH]8)ccnc7[nH]6)cnc5[nH]4)nc4[nH]c(C)nc34)[nH]c2c1
InChIInChI=1S/C64H70N16O2/c1-6-19-78(3)34-41-7-10-42-27-53(71-51(42)26-41)48-31-56(74-63-59(48)67-37(2)68-63)75-64-76-60-57(54-29-44-24-39(8-11-50(44)70-54)35-79(4)33-38-14-20-81-21-15-38)45(32-66-62(60)77-64)30-55-72-58-47(13-18-65-61(58)73-55)52-28-43-25-40(9-12-49(43)69-52)36-80(5)46-16-22-82-23-17-46/h7-13,18,24-29,31-32,38,46,69-71H,6,14-17,19-23,30,33-36H2,1-5H3,(H,65,72,73)(H3,66,67,68,74,75,76,77)
InChIKeyFKOFFQVOMBCFGE-UHFFFAOYSA-N
MW1095.37 g/mol
LogP11.90
Rot. Bonds18

About 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine

2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 142263034) has the molecular formula C64H70N16O2 and a molecular weight of 1095.37 g/mol. Its IUPAC name is 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine
PubChem CID142263034
Molecular FormulaC64H70N16O2
Molecular Weight1095.37 g/mol
Exact Mass1094.59
IUPAC Name2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCN(C)Cc1ccc2cc(-c3cc(Nc4nc5c(-c6cc7cc(CN(C)CC8CCOCC8)ccc7[nH]6)c(Cc6nc7c(-c8cc9cc(CN(C)C%10CCOCC%10)ccc9[nH]8)ccnc7[nH]6)cnc5[nH]4)nc4[nH]c(C)nc34)[nH]c2c1
InChIInChI=1S/C64H70N16O2/c1-6-19-78(3)34-41-7-10-42-27-53(71-51(42)26-41)48-31-56(74-63-59(48)67-37(2)68-63)75-64-76-60-57(54-29-44-24-39(8-11-50(44)70-54)35-79(4)33-38-14-20-81-21-15-38)45(32-66-62(60)77-64)30-55-72-58-47(13-18-65-61(58)73-55)52-28-43-25-40(9-12-49(43)69-52)36-80(5)46-16-22-82-23-17-46/h7-13,18,24-29,31-32,38,46,69-71H,6,14-17,19-23,30,33-36H2,1-5H3,(H,65,72,73)(H3,66,67,68,74,75,76,77)
InChIKeyFKOFFQVOMBCFGE-UHFFFAOYSA-N
XLogP11.90
TPSA212.29 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001095.37
LogP ≤ 511.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-[8-(1H-indol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148793
2-methyl-1-(oxolan-3-ylmethyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168279934
2-methyl-1-(oxan-4-ylmethyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinoline
CID 168286200
(3R)-4-[8-(1H-indol-6-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148818
(3S)-4-[8-(1H-indol-6-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148841
5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 71523136
5-[8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-7H-purin-2-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 71523137
US10544143, Example 265
CID 138686666
US10544143, Example 305
CID 138686527
US10544143, Example 289
CID 138686576
5-[2,6-bis[(3S)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1,3-dihydrobenzimidazol-2-one;(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-indol-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 88925583
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine (CID 142263034) is 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine is CCCN(C)Cc1ccc2cc(-c3cc(Nc4nc5c(-c6cc7cc(CN(C)CC8CCOCC8)ccc7[nH]6)c(Cc6nc7c(-c8cc9cc(CN(C)C%10CCOCC%10)ccc9[nH]8)ccnc7[nH]6)cnc5[nH]4)nc4[nH]c(C)nc34)[nH]c2c1.
What is the InChIKey of 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is FKOFFQVOMBCFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H70N16O2/c1-6-19-78(3)34-41-7-10-42-27-53(71-51(42)26-41)48-31-56(74-63-59(48)67-37(2)68-63)75-64-76-60-57(54-29-44-24-39(8-11-50(44)70-54)35-79(4)33-38-14-20-81-21-15-38)45(32-66-62(60)77-64)30-55-72-58-47(13-18-65-61(58)73-55)52-28-43-25-40(9-12-49(43)69-52)36-80(5)46-16-22-82-23-17-46/h7-13,18,24-29,31-32,38,46,69-71H,6,14-17,19-23,30,33-36H2,1-5H3,(H,65,72,73)(H3,66,67,68,74,75,76,77).
What are the key properties of 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine?
2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 1095.37 g/mol, XLogP of 11.90, 18 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[[7-[5-[[methyl(oxan-4-yl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-2-yl]-7-[6-[[methyl(propyl)amino]methyl]-1H-indol-2-yl]-3H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 142263034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).