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]acetamide

C25H31FN8O2 — CID 155226283

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]acetamide
SMILESCOc1cc(-c2[nH]c3cnc(N4CCC(N(C)CC(N)=O)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H31FN8O2/c1-14(2)20-21-17(31-23(20)15-9-18(36-4)24-29-13-30-34(24)11-15)10-28-25(22(21)26)33-7-5-16(6-8-33)32(3)12-19(27)35/h9-11,13-14,16,31H,5-8,12H2,1-4H3,(H2,27,35)
InChIKeyAUYIFXVHKUBFKY-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.93
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]acetamide

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]acetamide (PubChem CID 155226283) has the molecular formula C25H31FN8O2 and a molecular weight of 494.58 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]acetamide.

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]acetamide
PubChem CID155226283
Molecular FormulaC25H31FN8O2
Molecular Weight494.58 g/mol
Exact Mass494.26
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]acetamide
SMILESCOc1cc(-c2[nH]c3cnc(N4CCC(N(C)CC(N)=O)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H31FN8O2/c1-14(2)20-21-17(31-23(20)15-9-18(36-4)24-29-13-30-34(24)11-15)10-28-25(22(21)26)33-7-5-16(6-8-33)32(3)12-19(27)35/h9-11,13-14,16,31H,5-8,12H2,1-4H3,(H2,27,35)
InChIKeyAUYIFXVHKUBFKY-UHFFFAOYSA-N
XLogP2.93
TPSA117.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.93
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]acetamide 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]acetamide?
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]acetamide (CID 155226283) 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]acetamide.
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]acetamide?
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]acetamide is COc1cc(-c2[nH]c3cnc(N4CCC(N(C)CC(N)=O)CC4)c(F)c3c2C(C)C)cn2ncnc12.
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]acetamide?
The InChIKey is AUYIFXVHKUBFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN8O2/c1-14(2)20-21-17(31-23(20)15-9-18(36-4)24-29-13-30-34(24)11-15)10-28-25(22(21)26)33-7-5-16(6-8-33)32(3)12-19(27)35/h9-11,13-14,16,31H,5-8,12H2,1-4H3,(H2,27,35).
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]acetamide?
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]acetamide has a molecular weight of 494.58 g/mol, XLogP of 2.93, 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]acetamide is sourced from PubChem (CID 155226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).