7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C67H72F2N14O8 — CID 177170949

IUPAC7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N(C)CCC(C)OCC(C)c3nc(C4CCN(C(=O)c5cc6c(-c7ccccc7OC)cc(C7=CCCN(C(=O)CCn8ccnn8)C7)c(F)c6[nH]5)CC4)no3)cc12
InChIInChI=1S/C67H72F2N14O8/c1-41(40-90-42(2)18-27-78(3)66(86)54-36-52-50(46-14-6-8-16-56(46)88-4)34-48(60(68)62(52)72-54)44-12-10-25-80(38-44)58(84)21-30-82-32-23-70-76-82)65-74-64(75-91-65)43-19-28-79(29-20-43)67(87)55-37-53-51(47-15-7-9-17-57(47)89-5)35-49(61(69)63(53)73-55)45-13-11-26-81(39-45)59(85)22-31-83-33-24-71-77-83/h6-9,12-17,23-24,32-37,41-43,72-73H,10-11,18-22,25-31,38-40H2,1-5H3
InChIKeyLBQVKMSHELGEOL-UHFFFAOYSA-N
MW1239.40 g/mol
LogP9.95
Rot. Bonds22

About 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 177170949) has the molecular formula C67H72F2N14O8 and a molecular weight of 1239.40 g/mol. Its IUPAC name is 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID177170949
Molecular FormulaC67H72F2N14O8
Molecular Weight1239.40 g/mol
Exact Mass1238.56
IUPAC Name7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N(C)CCC(C)OCC(C)c3nc(C4CCN(C(=O)c5cc6c(-c7ccccc7OC)cc(C7=CCCN(C(=O)CCn8ccnn8)C7)c(F)c6[nH]5)CC4)no3)cc12
InChIInChI=1S/C67H72F2N14O8/c1-41(40-90-42(2)18-27-78(3)66(86)54-36-52-50(46-14-6-8-16-56(46)88-4)34-48(60(68)62(52)72-54)44-12-10-25-80(38-44)58(84)21-30-82-32-23-70-76-82)65-74-64(75-91-65)43-19-28-79(29-20-43)67(87)55-37-53-51(47-15-7-9-17-57(47)89-5)35-49(61(69)63(53)73-55)45-13-11-26-81(39-45)59(85)22-31-83-33-24-71-77-83/h6-9,12-17,23-24,32-37,41-43,72-73H,10-11,18-22,25-31,38-40H2,1-5H3
InChIKeyLBQVKMSHELGEOL-UHFFFAOYSA-N
XLogP9.95
TPSA240.85 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.40
LogP ≤ 59.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

3-tert-butyl-N-[[4-[2-[1-[1-[4-fluoro-2-[2-[1-[[7-[3-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-2-(1-propan-2-ylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-6-yl]methyl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-5-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]anilino]-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 174372532
4-[4-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]ethyl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176931748
4-[4-[4-[2-[2-[[1-[2-[(3aR,7aR)-4-(3-fluorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-4-pyridinyl]piperidin-4-yl]methoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176931767
4-[4-[4-[2-[[1-[2-[(3aR,7aR)-4-(3-fluorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-4-pyridinyl]piperidin-4-yl]methoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176931885
4-[4-[4-[2-[2-[(3S,3aR,7aR)-4-(3-fluorophenyl)-1-(4-piperidin-1-yl-2-pyridinyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-3-yl]ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176933007
4-[4-[4-[2-[2-[2-[2-[1-[2-[(3aR,7aR)-4-(3-fluorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-4-pyridinyl]piperidin-4-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176933460
4-[4-[4-[3-[1-[2-[(3aR,7aR)-4-(3-fluorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-4-pyridinyl]piperidin-4-yl]propyl]piperazin-1-yl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176933874
1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(pyrimidin-2-ylamino)piperidine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177169843
1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177169853
5-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 177169866
1-[5-[7-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-[4-(5-fluoro-6-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177169885
1-[5-[7-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177169906

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 177170949) is 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N(C)CCC(C)OCC(C)c3nc(C4CCN(C(=O)c5cc6c(-c7ccccc7OC)cc(C7=CCCN(C(=O)CCn8ccnn8)C7)c(F)c6[nH]5)CC4)no3)cc12.
What is the InChIKey of 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is LBQVKMSHELGEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H72F2N14O8/c1-41(40-90-42(2)18-27-78(3)66(86)54-36-52-50(46-14-6-8-16-56(46)88-4)34-48(60(68)62(52)72-54)44-12-10-25-80(38-44)58(84)21-30-82-32-23-70-76-82)65-74-64(75-91-65)43-19-28-79(29-20-43)67(87)55-37-53-51(47-15-7-9-17-57(47)89-5)35-49(61(69)63(53)73-55)45-13-11-26-81(39-45)59(85)22-31-83-33-24-71-77-83/h6-9,12-17,23-24,32-37,41-43,72-73H,10-11,18-22,25-31,38-40H2,1-5H3.
What are the key properties of 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 1239.40 g/mol, XLogP of 9.95, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-[2-[3-[1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]propoxy]butyl]-4-(2-methoxyphenyl)-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177170949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).