N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine

C95H66F7N35O — CID 174365372

IUPACN-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1cccc2nnc(NCc3ccc(-c4cc(Cn5cc(-c6nc7c(-c8ccc(CNc9nnc%10ccccn9%10)c(F)c8)cc(Cn8cc(-c9nc%10c(-c%11ccc(CNc%12nnc%13ccc(C(F)(F)F)cn%12%13)c(F)c%11)ccnc%10[nH]9)cn8)nc7[nH]6)cn5)nc5[nH]c(-c6cnn(-c7cc(-c8ccc(CNc9nnc(-c%10ccccc%10)o9)c(F)c8)c8nc(-c9cnn(C)c9)[nH]c8n7)c6)nc45)cc3F)n12
InChIInChI=1S/C95H66F7N35O/c1-49-9-8-13-76-125-129-93(137(49)76)106-36-57-20-16-53(29-72(57)98)68-32-65(113-88-80(68)117-85(121-88)62-41-111-136(45-62)77-33-69(81-89(114-77)122-82(118-81)59-38-108-131(2)42-59)54-17-21-58(73(99)30-54)37-107-94-130-126-90(138-94)50-10-4-3-5-11-50)48-133-44-61(40-110-133)84-116-79-67(52-15-19-56(71(97)28-52)34-104-91-127-123-74-12-6-7-26-134(74)91)31-64(112-87(79)120-84)47-132-43-60(39-109-132)83-115-78-66(24-25-103-86(78)119-83)51-14-18-55(70(96)27-51)35-105-92-128-124-75-23-22-63(46-135(75)92)95(100,101)102/h3-33,38-46H,34-37,47-48H2,1-2H3,(H,104,127)(H,105,128)(H,106,129)(H,107,130)(H,103,115,119)(H,112,116,120)(H,113,117,121)(H,114,118,122)
InChIKeyNJKOGWUDDIJHBK-UHFFFAOYSA-N
MW1846.80 g/mol
LogP17.03
Rot. Bonds26

About N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine

N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 174365372) has the molecular formula C95H66F7N35O and a molecular weight of 1846.80 g/mol. Its IUPAC name is N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID174365372
Molecular FormulaC95H66F7N35O
Molecular Weight1846.80 g/mol
Exact Mass1845.61
IUPAC NameN-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1cccc2nnc(NCc3ccc(-c4cc(Cn5cc(-c6nc7c(-c8ccc(CNc9nnc%10ccccn9%10)c(F)c8)cc(Cn8cc(-c9nc%10c(-c%11ccc(CNc%12nnc%13ccc(C(F)(F)F)cn%12%13)c(F)c%11)ccnc%10[nH]9)cn8)nc7[nH]6)cn5)nc5[nH]c(-c6cnn(-c7cc(-c8ccc(CNc9nnc(-c%10ccccc%10)o9)c(F)c8)c8nc(-c9cnn(C)c9)[nH]c8n7)c6)nc45)cc3F)n12
InChIInChI=1S/C95H66F7N35O/c1-49-9-8-13-76-125-129-93(137(49)76)106-36-57-20-16-53(29-72(57)98)68-32-65(113-88-80(68)117-85(121-88)62-41-111-136(45-62)77-33-69(81-89(114-77)122-82(118-81)59-38-108-131(2)42-59)54-17-21-58(73(99)30-54)37-107-94-130-126-90(138-94)50-10-4-3-5-11-50)48-133-44-61(40-110-133)84-116-79-67(52-15-19-56(71(97)28-52)34-104-91-127-123-74-12-6-7-26-134(74)91)31-64(112-87(79)120-84)47-132-43-60(39-109-132)83-115-78-66(24-25-103-86(78)119-83)51-14-18-55(70(96)27-51)35-105-92-128-124-75-23-22-63(46-135(75)92)95(100,101)102/h3-33,38-46H,34-37,47-48H2,1-2H3,(H,104,127)(H,105,128)(H,106,129)(H,107,130)(H,103,115,119)(H,112,116,120)(H,113,117,121)(H,114,118,122)
InChIKeyNJKOGWUDDIJHBK-UHFFFAOYSA-N
XLogP17.03
TPSA415.17 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.80
LogP ≤ 517.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine (CID 174365372) is N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is Cc1cccc2nnc(NCc3ccc(-c4cc(Cn5cc(-c6nc7c(-c8ccc(CNc9nnc%10ccccn9%10)c(F)c8)cc(Cn8cc(-c9nc%10c(-c%11ccc(CNc%12nnc%13ccc(C(F)(F)F)cn%12%13)c(F)c%11)ccnc%10[nH]9)cn8)nc7[nH]6)cn5)nc5[nH]c(-c6cnn(-c7cc(-c8ccc(CNc9nnc(-c%10ccccc%10)o9)c(F)c8)c8nc(-c9cnn(C)c9)[nH]c8n7)c6)nc45)cc3F)n12.
What is the InChIKey of N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NJKOGWUDDIJHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H66F7N35O/c1-49-9-8-13-76-125-129-93(137(49)76)106-36-57-20-16-53(29-72(57)98)68-32-65(113-88-80(68)117-85(121-88)62-41-111-136(45-62)77-33-69(81-89(114-77)122-82(118-81)59-38-108-131(2)42-59)54-17-21-58(73(99)30-54)37-107-94-130-126-90(138-94)50-10-4-3-5-11-50)48-133-44-61(40-110-133)84-116-79-67(52-15-19-56(71(97)28-52)34-104-91-127-123-74-12-6-7-26-134(74)91)31-64(112-87(79)120-84)47-132-43-60(39-109-132)83-115-78-66(24-25-103-86(78)119-83)51-14-18-55(70(96)27-51)35-105-92-128-124-75-23-22-63(46-135(75)92)95(100,101)102/h3-33,38-46H,34-37,47-48H2,1-2H3,(H,104,127)(H,105,128)(H,106,129)(H,107,130)(H,103,115,119)(H,112,116,120)(H,113,117,121)(H,114,118,122).
What are the key properties of N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine?
N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 1846.80 g/mol, XLogP of 17.03, 26 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[5-[4-[7-[3-fluoro-4-[[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)amino]methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]phenyl]-5-[[4-[7-[3-fluoro-4-[[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]amino]methyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]-3H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]-2-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 174365372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).