N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C54H39F2N13O — CID 137154849

IUPACN-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1ccncc1-c1cc(-c2cc(-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)cc56)nc34)ccc2F)c2[nH]nc(-c3nc4c(-c5ccc(F)cc5)cncc4[nH]3)c2c1
InChIInChI=1S/C54H39F2N13O/c1-27-13-14-57-22-39(27)31-18-36(46-38(19-31)50(69-67-46)52-63-44-25-59-23-40(47(44)64-52)28-5-9-33(55)10-6-28)35-17-30(7-11-42(35)56)41-24-60-26-45-48(41)65-51(62-45)49-37-16-29(8-12-43(37)66-68-49)32-15-34(21-58-20-32)61-53(70)54(2,3)4/h5-26H,1-4H3,(H,61,70)(H,62,65)(H,63,64)(H,66,68)(H,67,69)
InChIKeyYHPZGPZKECOQFQ-UHFFFAOYSA-N
MW923.99 g/mol
LogP12.01
Rot. Bonds8

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

N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 137154849) has the molecular formula C54H39F2N13O and a molecular weight of 923.99 g/mol. Its IUPAC name is N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID137154849
Molecular FormulaC54H39F2N13O
Molecular Weight923.99 g/mol
Exact Mass923.34
IUPAC NameN-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1ccncc1-c1cc(-c2cc(-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)cc56)nc34)ccc2F)c2[nH]nc(-c3nc4c(-c5ccc(F)cc5)cncc4[nH]3)c2c1
InChIInChI=1S/C54H39F2N13O/c1-27-13-14-57-22-39(27)31-18-36(46-38(19-31)50(69-67-46)52-63-44-25-59-23-40(47(44)64-52)28-5-9-33(55)10-6-28)35-17-30(7-11-42(35)56)41-24-60-26-45-48(41)65-51(62-45)49-37-16-29(8-12-43(37)66-68-49)32-15-34(21-58-20-32)61-53(70)54(2,3)4/h5-26H,1-4H3,(H,61,70)(H,62,65)(H,63,64)(H,66,68)(H,67,69)
InChIKeyYHPZGPZKECOQFQ-UHFFFAOYSA-N
XLogP12.01
TPSA195.38 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.99
LogP ≤ 512.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

Lorecivivint
CID 135565709
Ag-24322
CID 135413565
MK-4256
CID 56927659
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-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
3-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71454093
3-[(1R,3S)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71462983

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 137154849) is N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is Cc1ccncc1-c1cc(-c2cc(-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)cc56)nc34)ccc2F)c2[nH]nc(-c3nc4c(-c5ccc(F)cc5)cncc4[nH]3)c2c1.
What is the InChIKey of N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is YHPZGPZKECOQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39F2N13O/c1-27-13-14-57-22-39(27)31-18-36(46-38(19-31)50(69-67-46)52-63-44-25-59-23-40(47(44)64-52)28-5-9-33(55)10-6-28)35-17-30(7-11-42(35)56)41-24-60-26-45-48(41)65-51(62-45)49-37-16-29(8-12-43(37)66-68-49)32-15-34(21-58-20-32)61-53(70)54(2,3)4/h5-26H,1-4H3,(H,61,70)(H,62,65)(H,63,64)(H,66,68)(H,67,69).
What are the key properties of N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 923.99 g/mol, XLogP of 12.01, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazol-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 137154849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).