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

C36H36F2N8O4 — CID 177169906

IUPAC1-[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
SMILESCOc1cc(F)ccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4ncccc4OC)CC3)cc12
InChIInChI=1S/C36H36F2N8O4/c1-49-30-6-3-10-39-35(30)43-15-17-44(18-16-43)36(48)29-21-28-27(25-8-7-24(37)19-31(25)50-2)20-26(33(38)34(28)41-29)23-5-4-12-45(22-23)32(47)9-13-46-14-11-40-42-46/h3,5-8,10-11,14,19-21,41H,4,9,12-13,15-18,22H2,1-2H3
InChIKeyJSUIPODAYJEJDU-UHFFFAOYSA-N
MW682.73 g/mol
LogP4.79
Rot. Bonds9

About 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

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 (PubChem CID 177169906) has the molecular formula C36H36F2N8O4 and a molecular weight of 682.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID177169906
Molecular FormulaC36H36F2N8O4
Molecular Weight682.73 g/mol
Exact Mass682.28
IUPAC Name1-[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
SMILESCOc1cc(F)ccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4ncccc4OC)CC3)cc12
InChIInChI=1S/C36H36F2N8O4/c1-49-30-6-3-10-39-35(30)43-15-17-44(18-16-43)36(48)29-21-28-27(25-8-7-24(37)19-31(25)50-2)20-26(33(38)34(28)41-29)23-5-4-12-45(22-23)32(47)9-13-46-14-11-40-42-46/h3,5-8,10-11,14,19-21,41H,4,9,12-13,15-18,22H2,1-2H3
InChIKeyJSUIPODAYJEJDU-UHFFFAOYSA-N
XLogP4.79
TPSA121.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.73
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(F)ccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4ncccc4OC)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is JSUIPODAYJEJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F2N8O4/c1-49-30-6-3-10-39-35(30)43-15-17-44(18-16-43)36(48)29-21-28-27(25-8-7-24(37)19-31(25)50-2)20-26(33(38)34(28)41-29)23-5-4-12-45(22-23)32(47)9-13-46-14-11-40-42-46/h3,5-8,10-11,14,19-21,41H,4,9,12-13,15-18,22H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 682.73 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177169906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).