2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide

C26H33FN8O2 — CID 155226183

IUPAC2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1
InChIInChI=1S/C26H33FN8O2/c1-15(2)21-22-18(32-24(21)16-10-19(37-5)25-30-14-31-35(25)12-16)11-29-26(23(22)27)34-8-6-17(7-9-34)33(4)13-20(36)28-3/h10-12,14-15,17,32H,6-9,13H2,1-5H3,(H,28,36)
InChIKeyWSYYDSVUPITHMU-UHFFFAOYSA-N
MW508.60 g/mol
LogP3.19
Rot. Bonds7

About 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide

2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide (PubChem CID 155226183) has the molecular formula C26H33FN8O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide
PubChem CID155226183
Molecular FormulaC26H33FN8O2
Molecular Weight508.60 g/mol
Exact Mass508.27
IUPAC Name2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1
InChIInChI=1S/C26H33FN8O2/c1-15(2)21-22-18(32-24(21)16-10-19(37-5)25-30-14-31-35(25)12-16)11-29-26(23(22)27)34-8-6-17(7-9-34)33(4)13-20(36)28-3/h10-12,14-15,17,32H,6-9,13H2,1-5H3,(H,28,36)
InChIKeyWSYYDSVUPITHMU-UHFFFAOYSA-N
XLogP3.19
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide 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 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide (CID 155226183) is 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)C1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1.
What is the InChIKey of 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide?
The InChIKey is WSYYDSVUPITHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN8O2/c1-15(2)21-22-18(32-24(21)16-10-19(37-5)25-30-14-31-35(25)12-16)11-29-26(23(22)27)34-8-6-17(7-9-34)33(4)13-20(36)28-3/h10-12,14-15,17,32H,6-9,13H2,1-5H3,(H,28,36).
What are the key properties of 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide?
2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide has a molecular weight of 508.60 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 155226183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).