5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine

C53H39F2N13 — CID 137083771

IUPAC5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)c(-c7cc(-c8cncc(N)c8)cc8c7CCN=C8c7nc8c(-c9ccc(F)cc9)cncc8[nH]7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C53H39F2N13/c1-2-57-19-28-13-33(21-58-20-28)30-6-10-45-41(15-30)51(68-67-45)53-64-47-27-61-25-43(49(47)66-53)31-5-9-44(55)39(16-31)38-17-32(34-14-36(56)23-59-22-34)18-40-37(38)11-12-62-50(40)52-63-46-26-60-24-42(48(46)65-52)29-3-7-35(54)8-4-29/h3-10,13-18,20-27,57H,2,11-12,19,56H2,1H3,(H,63,65)(H,64,66)(H,67,68)
InChIKeyRACHPDRVTZDWCG-UHFFFAOYSA-N
MW895.98 g/mol
LogP10.26
Rot. Bonds10

About 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine

5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine (PubChem CID 137083771) has the molecular formula C53H39F2N13 and a molecular weight of 895.98 g/mol. Its IUPAC name is 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine
PubChem CID137083771
Molecular FormulaC53H39F2N13
Molecular Weight895.98 g/mol
Exact Mass895.34
IUPAC Name5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)c(-c7cc(-c8cncc(N)c8)cc8c7CCN=C8c7nc8c(-c9ccc(F)cc9)cncc8[nH]7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C53H39F2N13/c1-2-57-19-28-13-33(21-58-20-28)30-6-10-45-41(15-30)51(68-67-45)53-64-47-27-61-25-43(49(47)66-53)31-5-9-44(55)39(16-31)38-17-32(34-14-36(56)23-59-22-34)18-40-37(38)11-12-62-50(40)52-63-46-26-60-24-42(48(46)65-52)29-3-7-35(54)8-4-29/h3-10,13-18,20-27,57H,2,11-12,19,56H2,1H3,(H,63,65)(H,64,66)(H,67,68)
InChIKeyRACHPDRVTZDWCG-UHFFFAOYSA-N
XLogP10.26
TPSA188.01 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.98
LogP ≤ 510.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine with MolForge

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Related Compounds

Lorecivivint
CID 135565709
Ag-24322
CID 135413565
N-[1-[1-[(4-tert-butylphenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11204498
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-Fluoro-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 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine?
The IUPAC name of 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine (CID 137083771) is 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine.
What is the SMILES notation for 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine?
The canonical SMILES for 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)c(-c7cc(-c8cncc(N)c8)cc8c7CCN=C8c7nc8c(-c9ccc(F)cc9)cncc8[nH]7)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine?
The InChIKey is RACHPDRVTZDWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39F2N13/c1-2-57-19-28-13-33(21-58-20-28)30-6-10-45-41(15-30)51(68-67-45)53-64-47-27-61-25-43(49(47)66-53)31-5-9-44(55)39(16-31)38-17-32(34-14-36(56)23-59-22-34)18-40-37(38)11-12-62-50(40)52-63-46-26-60-24-42(48(46)65-52)29-3-7-35(54)8-4-29/h3-10,13-18,20-27,57H,2,11-12,19,56H2,1H3,(H,63,65)(H,64,66)(H,67,68).
What are the key properties of 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine?
5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine has a molecular weight of 895.98 g/mol, XLogP of 10.26, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine is sourced from PubChem (CID 137083771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).