1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

C37H37FN10O3 — CID 177170124

IUPAC1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cc(C)cn5ncnc45)CC3)cc12
InChIInChI=1S/C37H37FN10O3/c1-24-18-31(36-39-23-41-48(36)21-24)44-14-16-45(17-15-44)37(50)30-20-29-28(26-7-3-4-8-32(26)51-2)19-27(34(38)35(29)42-30)25-6-5-11-46(22-25)33(49)9-12-47-13-10-40-43-47/h3-4,6-8,10,13,18-21,23,42H,5,9,11-12,14-17,22H2,1-2H3
InChIKeyVUNCGNYBGRZVOI-UHFFFAOYSA-N
MW688.77 g/mol
LogP4.59
Rot. Bonds8

About 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 177170124) has the molecular formula C37H37FN10O3 and a molecular weight of 688.77 g/mol. Its IUPAC name is 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID177170124
Molecular FormulaC37H37FN10O3
Molecular Weight688.77 g/mol
Exact Mass688.30
IUPAC Name1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cc(C)cn5ncnc45)CC3)cc12
InChIInChI=1S/C37H37FN10O3/c1-24-18-31(36-39-23-41-48(36)21-24)44-14-16-45(17-15-44)37(50)30-20-29-28(26-7-3-4-8-32(26)51-2)19-27(34(38)35(29)42-30)25-6-5-11-46(22-25)33(49)9-12-47-13-10-40-43-47/h3-4,6-8,10,13,18-21,23,42H,5,9,11-12,14-17,22H2,1-2H3
InChIKeyVUNCGNYBGRZVOI-UHFFFAOYSA-N
XLogP4.59
TPSA129.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500688.77
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
N-[(1R)-1-[5-[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 66788278
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 118538902
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 122178613
N-[(1R)-1-[5-[(1S)-1-acetamido-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 127046807
3-[6-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162676852
N-(2,6-diethylphenyl)-5-[2-[4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 166635092
3-[7-[2-[2-[2-[2-[4-[[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
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CID 50940360
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(2-methoxyphenyl)-1H-indol-2-yl]methanone
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US10822352, Comp No. 668
CID 126622930
(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indazol-1-yl)acetyl)-N-(6-(difluoromethoxy) pyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623153

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 177170124) is 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-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-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cc(C)cn5ncnc45)CC3)cc12.
What is the InChIKey of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is VUNCGNYBGRZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37FN10O3/c1-24-18-31(36-39-23-41-48(36)21-24)44-14-16-45(17-15-44)37(50)30-20-29-28(26-7-3-4-8-32(26)51-2)19-27(34(38)35(29)42-30)25-6-5-11-46(22-25)33(49)9-12-47-13-10-40-43-47/h3-4,6-8,10,13,18-21,23,42H,5,9,11-12,14-17,22H2,1-2H3.
What are the key properties of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 688.77 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-[4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 177170124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).