3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine

C58H50F2N14 — CID 145036249

IUPAC3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine
SMILESCc1cncc(-c2ccc3c(c2)c(-c2nc4nccc(-c5cc(F)cc(CCCN(C)C)c5)c4[nH]2)nn3N(C)CCCc2cc(F)cc(-c3ccnc4nc(-c5n[nH]c6ccc(-c7ccncc7)cc56)[nH]c34)c2)c1
InChIInChI=1S/C58H50F2N14/c1-34-23-42(33-62-32-34)39-10-12-50-48(31-39)54(58-66-52-46(16-20-64-56(52)68-58)40-24-35(26-43(59)28-40)7-5-21-72(2)3)71-74(50)73(4)22-6-8-36-25-41(29-44(60)27-36)45-15-19-63-55-51(45)65-57(67-55)53-47-30-38(9-11-49(47)69-70-53)37-13-17-61-18-14-37/h9-20,23-33H,5-8,21-22H2,1-4H3,(H,69,70)(H,63,65,67)(H,64,66,68)
InChIKeyVDRABPFXMKROOQ-UHFFFAOYSA-N
MW981.13 g/mol
LogP11.53
Rot. Bonds15

About 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine

3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine (PubChem CID 145036249) has the molecular formula C58H50F2N14 and a molecular weight of 981.13 g/mol. Its IUPAC name is 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine.

Molecular Properties

Compound Name3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine
PubChem CID145036249
Molecular FormulaC58H50F2N14
Molecular Weight981.13 g/mol
Exact Mass980.43
IUPAC Name3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine
SMILESCc1cncc(-c2ccc3c(c2)c(-c2nc4nccc(-c5cc(F)cc(CCCN(C)C)c5)c4[nH]2)nn3N(C)CCCc2cc(F)cc(-c3ccnc4nc(-c5n[nH]c6ccc(-c7ccncc7)cc56)[nH]c34)c2)c1
InChIInChI=1S/C58H50F2N14/c1-34-23-42(33-62-32-34)39-10-12-50-48(31-39)54(58-66-52-46(16-20-64-56(52)68-58)40-24-35(26-43(59)28-40)7-5-21-72(2)3)71-74(50)73(4)22-6-8-36-25-41(29-44(60)27-36)45-15-19-63-55-51(45)65-57(67-55)53-47-30-38(9-11-49(47)69-70-53)37-13-17-61-18-14-37/h9-20,23-33H,5-8,21-22H2,1-4H3,(H,69,70)(H,63,65,67)(H,64,66,68)
InChIKeyVDRABPFXMKROOQ-UHFFFAOYSA-N
XLogP11.53
TPSA161.90 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.13
LogP ≤ 511.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Lorecivivint
CID 135565709
Ag-24322
CID 135413565
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
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
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine?
The IUPAC name of 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine (CID 145036249) is 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine.
What is the SMILES notation for 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine?
The canonical SMILES for 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine is Cc1cncc(-c2ccc3c(c2)c(-c2nc4nccc(-c5cc(F)cc(CCCN(C)C)c5)c4[nH]2)nn3N(C)CCCc2cc(F)cc(-c3ccnc4nc(-c5n[nH]c6ccc(-c7ccncc7)cc56)[nH]c34)c2)c1.
What is the InChIKey of 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine?
The InChIKey is VDRABPFXMKROOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50F2N14/c1-34-23-42(33-62-32-34)39-10-12-50-48(31-39)54(58-66-52-46(16-20-64-56(52)68-58)40-24-35(26-43(59)28-40)7-5-21-72(2)3)71-74(50)73(4)22-6-8-36-25-41(29-44(60)27-36)45-15-19-63-55-51(45)65-57(67-55)53-47-30-38(9-11-49(47)69-70-53)37-13-17-61-18-14-37/h9-20,23-33H,5-8,21-22H2,1-4H3,(H,69,70)(H,63,65,67)(H,64,66,68).
What are the key properties of 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine?
3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine has a molecular weight of 981.13 g/mol, XLogP of 11.53, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine is sourced from PubChem (CID 145036249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).