N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide

C59H62FN14O5+ — CID 123604695

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
SMILESCCc1nn(Cc2cccc(C[n+]3cc(C(=O)Nc4cccc5c4c(CC)nn5Cc4cccc(C)n4)n4ccc(OCCN5CCC(F)C5)cc43)n2)c2cccc(NC(=O)c3cnc4cc(OCC5CNCCO5)ccn34)c12
InChIInChI=1S/C59H61FN14O5/c1-4-46-56-48(65-58(75)52-31-62-54-28-43(19-23-71(52)54)79-37-45-30-61-21-26-77-45)14-8-17-51(56)74(68-46)35-42-13-7-12-40(64-42)33-70-36-53(72-24-20-44(29-55(70)72)78-27-25-69-22-18-39(60)32-69)59(76)66-49-15-9-16-50-57(49)47(5-2)67-73(50)34-41-11-6-10-38(3)63-41/h6-17,19-20,23-24,28-29,31,36,39,45,61H,4-5,18,21-22,25-27,30,32-35,37H2,1-3H3,(H-,65,66,67,68,75,76)/p+1
InChIKeyNDNURTZZQFDLNB-UHFFFAOYSA-O
MW1066.24 g/mol
LogP7.24
Rot. Bonds19

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide (PubChem CID 123604695) has the molecular formula C59H62FN14O5+ and a molecular weight of 1066.24 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
PubChem CID123604695
Molecular FormulaC59H62FN14O5+
Molecular Weight1066.24 g/mol
Exact Mass1065.50
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
SMILESCCc1nn(Cc2cccc(C[n+]3cc(C(=O)Nc4cccc5c4c(CC)nn5Cc4cccc(C)n4)n4ccc(OCCN5CCC(F)C5)cc43)n2)c2cccc(NC(=O)c3cnc4cc(OCC5CNCCO5)ccn34)c12
InChIInChI=1S/C59H61FN14O5/c1-4-46-56-48(65-58(75)52-31-62-54-28-43(19-23-71(52)54)79-37-45-30-61-21-26-77-45)14-8-17-51(56)74(68-46)35-42-13-7-12-40(64-42)33-70-36-53(72-24-20-44(29-55(70)72)78-27-25-69-22-18-39(60)32-69)59(76)66-49-15-9-16-50-57(49)47(5-2)67-73(50)34-41-11-6-10-38(3)63-41/h6-17,19-20,23-24,28-29,31,36,39,45,61H,4-5,18,21-22,25-27,30,32-35,37H2,1-3H3,(H-,65,66,67,68,75,76)/p+1
InChIKeyNDNURTZZQFDLNB-UHFFFAOYSA-O
XLogP7.24
TPSA188.17 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001066.24
LogP ≤ 57.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide with MolForge

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Related Compounds

Arry-382
CID 67259771
N-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 53261896
N-(1-Benzyl-3-iodo-1H-indazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 53261960
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 53261961
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 53261962
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 53261963
7-(3-amino-2,2-difluoropropoxy)-N-[3-ethyl-1-[(6-methylpyridin-2-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53262023
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methyl-4-oxidopiperazin-4-ium-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 53262024
N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 53262025
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 53262092
N-(3-methoxy-1-((6-methylpyridin-3-yl)methyl)-1H-indazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67259328
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67259338

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide (CID 123604695) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide is CCc1nn(Cc2cccc(C[n+]3cc(C(=O)Nc4cccc5c4c(CC)nn5Cc4cccc(C)n4)n4ccc(OCCN5CCC(F)C5)cc43)n2)c2cccc(NC(=O)c3cnc4cc(OCC5CNCCO5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide?
The InChIKey is NDNURTZZQFDLNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C59H61FN14O5/c1-4-46-56-48(65-58(75)52-31-62-54-28-43(19-23-71(52)54)79-37-45-30-61-21-26-77-45)14-8-17-51(56)74(68-46)35-42-13-7-12-40(64-42)33-70-36-53(72-24-20-44(29-55(70)72)78-27-25-69-22-18-39(60)32-69)59(76)66-49-15-9-16-50-57(49)47(5-2)67-73(50)34-41-11-6-10-38(3)63-41/h6-17,19-20,23-24,28-29,31,36,39,45,61H,4-5,18,21-22,25-27,30,32-35,37H2,1-3H3,(H-,65,66,67,68,75,76)/p+1.
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide has a molecular weight of 1066.24 g/mol, XLogP of 7.24, 19 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 123604695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).