N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

C65H64F2N18O2 — CID 154939096

IUPACN-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)Cn7nc(-c8nc9c(-c%10cc(F)cc(NCCN(C)C)c%10)cncc9[nH]8)c8cc(-c9cncc(NC(=O)CCC)c9)ccc87)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C65H64F2N18O2/c1-6-8-10-59(87)75-49-23-42(29-68-32-49)38-11-13-54-50(25-38)62(81-80-54)64-76-55-35-70-33-52(60(55)78-64)41-20-45(67)28-47(22-41)73-16-18-84(5)37-85-57-14-12-39(43-24-48(31-69-30-43)74-58(86)9-7-2)26-51(57)63(82-85)65-77-56-36-71-34-53(61(56)79-65)40-19-44(66)27-46(21-40)72-15-17-83(3)4/h11-14,19-36,72-73H,6-10,15-18,37H2,1-5H3,(H,74,86)(H,75,87)(H,76,78)(H,77,79)(H,80,81)
InChIKeyZLYXHCDFMAQFHR-UHFFFAOYSA-N
MW1167.35 g/mol
LogP12.37
Rot. Bonds23

About N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 154939096) has the molecular formula C65H64F2N18O2 and a molecular weight of 1167.35 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
PubChem CID154939096
Molecular FormulaC65H64F2N18O2
Molecular Weight1167.35 g/mol
Exact Mass1166.54
IUPAC NameN-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)Cn7nc(-c8nc9c(-c%10cc(F)cc(NCCN(C)C)c%10)cncc9[nH]8)c8cc(-c9cncc(NC(=O)CCC)c9)ccc87)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C65H64F2N18O2/c1-6-8-10-59(87)75-49-23-42(29-68-32-49)38-11-13-54-50(25-38)62(81-80-54)64-76-55-35-70-33-52(60(55)78-64)41-20-45(67)28-47(22-41)73-16-18-84(5)37-85-57-14-12-39(43-24-48(31-69-30-43)74-58(86)9-7-2)26-51(57)63(82-85)65-77-56-36-71-34-53(61(56)79-65)40-19-44(66)27-46(21-40)72-15-17-83(3)4/h11-14,19-36,72-73H,6-10,15-18,37H2,1-5H3,(H,74,86)(H,75,87)(H,76,78)(H,77,79)(H,80,81)
InChIKeyZLYXHCDFMAQFHR-UHFFFAOYSA-N
XLogP12.37
TPSA244.16 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001167.35
LogP ≤ 512.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 154939096) is N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(NCCN(C)Cn7nc(-c8nc9c(-c%10cc(F)cc(NCCN(C)C)c%10)cncc9[nH]8)c8cc(-c9cncc(NC(=O)CCC)c9)ccc87)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is ZLYXHCDFMAQFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H64F2N18O2/c1-6-8-10-59(87)75-49-23-42(29-68-32-49)38-11-13-54-50(25-38)62(81-80-54)64-76-55-35-70-33-52(60(55)78-64)41-20-45(67)28-47(22-41)73-16-18-84(5)37-85-57-14-12-39(43-24-48(31-69-30-43)74-58(86)9-7-2)26-51(57)63(82-85)65-77-56-36-71-34-53(61(56)79-65)40-19-44(66)27-46(21-40)72-15-17-83(3)4/h11-14,19-36,72-73H,6-10,15-18,37H2,1-5H3,(H,74,86)(H,75,87)(H,76,78)(H,77,79)(H,80,81).
What are the key properties of N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 1167.35 g/mol, XLogP of 12.37, 23 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-[2-[[5-[5-(butanoylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 154939096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).