N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C62H58F4N18O — CID 145034664

IUPACN-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCCNCc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)nn(N(C)CCNc4cc(F)cc(-c5nccc6[nH]c(-c7n[nH]c8cc(F)c(-c9cncc(NC(=O)C(C)C)c9)cc78)nc56)c4)c3cc2F)c1
InChIInChI=1S/C62H58F4N18O/c1-7-67-28-34-16-37(30-68-29-34)45-25-47-53(27-49(45)66)84(81-57(47)61-76-51-9-11-73-55(59(51)78-61)35-17-39(63)22-41(19-35)70-12-14-82(4)5)83(6)15-13-71-42-20-36(18-40(64)23-42)54-58-50(8-10-72-54)75-60(77-58)56-46-24-44(48(65)26-52(46)79-80-56)38-21-43(32-69-31-38)74-62(85)33(2)3/h8-11,16-27,29-33,67,70-71H,7,12-15,28H2,1-6H3,(H,74,85)(H,75,77)(H,76,78)(H,79,80)
InChIKeyUQBJCLGNDMSOOC-UHFFFAOYSA-N
MW1147.26 g/mol
LogP11.16
Rot. Bonds20

About N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145034664) has the molecular formula C62H58F4N18O and a molecular weight of 1147.26 g/mol. Its IUPAC name is N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID145034664
Molecular FormulaC62H58F4N18O
Molecular Weight1147.26 g/mol
Exact Mass1146.50
IUPAC NameN-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCCNCc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)nn(N(C)CCNc4cc(F)cc(-c5nccc6[nH]c(-c7n[nH]c8cc(F)c(-c9cncc(NC(=O)C(C)C)c9)cc78)nc56)c4)c3cc2F)c1
InChIInChI=1S/C62H58F4N18O/c1-7-67-28-34-16-37(30-68-29-34)45-25-47-53(27-49(45)66)84(81-57(47)61-76-51-9-11-73-55(59(51)78-61)35-17-39(63)22-41(19-35)70-12-14-82(4)5)83(6)15-13-71-42-20-36(18-40(64)23-42)54-58-50(8-10-72-54)75-60(77-58)56-46-24-44(48(65)26-52(46)79-80-56)38-21-43(32-69-31-38)74-62(85)33(2)3/h8-11,16-27,29-33,67,70-71H,7,12-15,28H2,1-6H3,(H,74,85)(H,75,77)(H,76,78)(H,79,80)
InChIKeyUQBJCLGNDMSOOC-UHFFFAOYSA-N
XLogP11.16
TPSA227.09 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001147.26
LogP ≤ 511.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

Lorecivivint
CID 135565709
Sch772984
CID 24866313
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445
N-[1-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250446
N-[1-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11411030
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145034664) is N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CCNCc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)nn(N(C)CCNc4cc(F)cc(-c5nccc6[nH]c(-c7n[nH]c8cc(F)c(-c9cncc(NC(=O)C(C)C)c9)cc78)nc56)c4)c3cc2F)c1.
What is the InChIKey of N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is UQBJCLGNDMSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58F4N18O/c1-7-67-28-34-16-37(30-68-29-34)45-25-47-53(27-49(45)66)84(81-57(47)61-76-51-9-11-73-55(59(51)78-61)35-17-39(63)22-41(19-35)70-12-14-82(4)5)83(6)15-13-71-42-20-36(18-40(64)23-42)54-58-50(8-10-72-54)75-60(77-58)56-46-24-44(48(65)26-52(46)79-80-56)38-21-43(32-69-31-38)74-62(85)33(2)3/h8-11,16-27,29-33,67,70-71H,7,12-15,28H2,1-6H3,(H,74,85)(H,75,77)(H,76,78)(H,79,80).
What are the key properties of N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 1147.26 g/mol, XLogP of 11.16, 20 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-[3-[2-[[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoroindazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145034664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).