1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

C70H67F2N15O7 — CID 177171601

IUPAC1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1cc(-c2cccc(-c3cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c4[nH]c(C(=O)N5CCc6nc(C)[nH]c6C5)cc34)c2OC)ccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc12
InChIInChI=1S/C70H67F2N15O7/c1-42-75-56-18-25-85(41-59(56)76-42)70(92)58-38-55-53(36-51(64(72)66(55)78-58)46-13-9-24-84(40-46)62(89)20-27-87-29-22-74-80-87)49-15-7-14-47(67(49)94-3)44-16-17-48(60(34-44)93-2)52-35-50(45-12-8-23-83(39-45)61(88)19-26-86-28-21-73-79-86)63(71)65-54(52)37-57(77-65)69(91)82-32-30-81(31-33-82)68(90)43-10-5-4-6-11-43/h4-7,10-17,21-22,28-29,34-38,77-78H,8-9,18-20,23-27,30-33,39-41H2,1-3H3,(H,75,76)
InChIKeySNWQCUKHBGAYMK-UHFFFAOYSA-N
MW1268.40 g/mol
LogP9.37
Rot. Bonds16

About 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 177171601) has the molecular formula C70H67F2N15O7 and a molecular weight of 1268.40 g/mol. Its IUPAC name is 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID177171601
Molecular FormulaC70H67F2N15O7
Molecular Weight1268.40 g/mol
Exact Mass1267.53
IUPAC Name1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1cc(-c2cccc(-c3cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c4[nH]c(C(=O)N5CCc6nc(C)[nH]c6C5)cc34)c2OC)ccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc12
InChIInChI=1S/C70H67F2N15O7/c1-42-75-56-18-25-85(41-59(56)76-42)70(92)58-38-55-53(36-51(64(72)66(55)78-58)46-13-9-24-84(40-46)62(89)20-27-87-29-22-74-80-87)49-15-7-14-47(67(49)94-3)44-16-17-48(60(34-44)93-2)52-35-50(45-12-8-23-83(39-45)61(88)19-26-86-28-21-73-79-86)63(71)65-54(52)37-57(77-65)69(91)82-32-30-81(31-33-82)68(90)43-10-5-4-6-11-43/h4-7,10-17,21-22,28-29,34-38,77-78H,8-9,18-20,23-27,30-33,39-41H2,1-3H3,(H,75,76)
InChIKeySNWQCUKHBGAYMK-UHFFFAOYSA-N
XLogP9.37
TPSA241.69 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.40
LogP ≤ 59.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 177171601) is 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is COc1cc(-c2cccc(-c3cc(C4=CCCN(C(=O)CCn5ccnn5)C4)c(F)c4[nH]c(C(=O)N5CCc6nc(C)[nH]c6C5)cc34)c2OC)ccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc12.
What is the InChIKey of 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is SNWQCUKHBGAYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H67F2N15O7/c1-42-75-56-18-25-85(41-59(56)76-42)70(92)58-38-55-53(36-51(64(72)66(55)78-58)46-13-9-24-84(40-46)62(89)20-27-87-29-22-74-80-87)49-15-7-14-47(67(49)94-3)44-16-17-48(60(34-44)93-2)52-35-50(45-12-8-23-83(39-45)61(88)19-26-86-28-21-73-79-86)63(71)65-54(52)37-57(77-65)69(91)82-32-30-81(31-33-82)68(90)43-10-5-4-6-11-43/h4-7,10-17,21-22,28-29,34-38,77-78H,8-9,18-20,23-27,30-33,39-41H2,1-3H3,(H,75,76).
What are the key properties of 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 1268.40 g/mol, XLogP of 9.37, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-benzoylpiperazine-1-carbonyl)-7-fluoro-4-[4-[3-[7-fluoro-2-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-methoxyphenyl]-2-methoxyphenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 177171601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).