N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide

C61H56N16O3 — CID 142263095

IUPACN-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide
SMILESC#CCN(C)C(=O)c1ccc2cc(-c3ccnc4nc(Cc5cnc6nc(Cc7cnc8nc(C)[nH]c8c7-c7cc8ccc(C(=O)NCCN(CC)CC)cc8[nH]7)[nH]c6c5-c5cc6ccc(C(=O)NCC=C)cc6[nH]5)[nH]c34)[nH]c2c1
InChIInChI=1S/C61H56N16O3/c1-7-18-63-59(78)37-14-11-36-25-48(71-43(36)26-37)52-41(29-49-72-53-42(17-19-62-56(53)74-49)46-23-34-13-16-39(28-45(34)69-46)61(80)76(6)21-8-2)32-66-58-55(52)73-50(75-58)30-40-31-65-57-54(67-33(5)68-57)51(40)47-24-35-12-15-38(27-44(35)70-47)60(79)64-20-22-77(9-3)10-4/h2,7,11-17,19,23-28,31-32,69-71H,1,9-10,18,20-22,29-30H2,3-6H3,(H,63,78)(H,64,79)(H,62,72,74)(H,65,67,68)(H,66,73,75)
InChIKeyFMTPSVRKADTTOG-UHFFFAOYSA-N
MW1061.23 g/mol
LogP9.13
Rot. Bonds18

About N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide

N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide (PubChem CID 142263095) has the molecular formula C61H56N16O3 and a molecular weight of 1061.23 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide
PubChem CID142263095
Molecular FormulaC61H56N16O3
Molecular Weight1061.23 g/mol
Exact Mass1060.47
IUPAC NameN-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide
SMILESC#CCN(C)C(=O)c1ccc2cc(-c3ccnc4nc(Cc5cnc6nc(Cc7cnc8nc(C)[nH]c8c7-c7cc8ccc(C(=O)NCCN(CC)CC)cc8[nH]7)[nH]c6c5-c5cc6ccc(C(=O)NCC=C)cc6[nH]5)[nH]c34)[nH]c2c1
InChIInChI=1S/C61H56N16O3/c1-7-18-63-59(78)37-14-11-36-25-48(71-43(36)26-37)52-41(29-49-72-53-42(17-19-62-56(53)74-49)46-23-34-13-16-39(28-45(34)69-46)61(80)76(6)21-8-2)32-66-58-55(52)73-50(75-58)30-40-31-65-57-54(67-33(5)68-57)51(40)47-24-35-12-15-38(27-44(35)70-47)60(79)64-20-22-77(9-3)10-4/h2,7,11-17,19,23-28,31-32,69-71H,1,9-10,18,20-22,29-30H2,3-6H3,(H,63,78)(H,64,79)(H,62,72,74)(H,65,67,68)(H,66,73,75)
InChIKeyFMTPSVRKADTTOG-UHFFFAOYSA-N
XLogP9.13
TPSA253.83 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.23
LogP ≤ 59.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

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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
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CID 127048118

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide (CID 142263095) is N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide is C#CCN(C)C(=O)c1ccc2cc(-c3ccnc4nc(Cc5cnc6nc(Cc7cnc8nc(C)[nH]c8c7-c7cc8ccc(C(=O)NCCN(CC)CC)cc8[nH]7)[nH]c6c5-c5cc6ccc(C(=O)NCC=C)cc6[nH]5)[nH]c34)[nH]c2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide?
The InChIKey is FMTPSVRKADTTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H56N16O3/c1-7-18-63-59(78)37-14-11-36-25-48(71-43(36)26-37)52-41(29-49-72-53-42(17-19-62-56(53)74-49)46-23-34-13-16-39(28-45(34)69-46)61(80)76(6)21-8-2)32-66-58-55(52)73-50(75-58)30-40-31-65-57-54(67-33(5)68-57)51(40)47-24-35-12-15-38(27-44(35)70-47)60(79)64-20-22-77(9-3)10-4/h2,7,11-17,19,23-28,31-32,69-71H,1,9-10,18,20-22,29-30H2,3-6H3,(H,63,78)(H,64,79)(H,62,72,74)(H,65,67,68)(H,66,73,75).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide?
N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide has a molecular weight of 1061.23 g/mol, XLogP of 9.13, 18 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[2-methyl-6-[[6-[[7-[6-[methyl(prop-2-ynyl)carbamoyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-7-[6-(prop-2-enylcarbamoyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 142263095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).