N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C22H24F2N8O2 — CID 167271421

IUPACN-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)C)n(CC(F)F)n4)n(C)c3c2)ccn1
InChIInChI=1S/C22H24F2N8O2/c1-12(2)16-9-20(30-32(16)11-18(23)24)28-22-29-21-17(31(22)4)7-15(10-26-21)34-14-5-6-25-19(8-14)27-13(3)33/h5-10,12,18H,11H2,1-4H3,(H,25,27,33)(H,26,28,29,30)
InChIKeyBMJNDWUCXNQAIY-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.44
Rot. Bonds8

About N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 167271421) has the molecular formula C22H24F2N8O2 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID167271421
Molecular FormulaC22H24F2N8O2
Molecular Weight470.48 g/mol
Exact Mass470.20
IUPAC NameN-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)C)n(CC(F)F)n4)n(C)c3c2)ccn1
InChIInChI=1S/C22H24F2N8O2/c1-12(2)16-9-20(30-32(16)11-18(23)24)28-22-29-21-17(31(22)4)7-15(10-26-21)34-14-5-6-25-19(8-14)27-13(3)33/h5-10,12,18H,11H2,1-4H3,(H,25,27,33)(H,26,28,29,30)
InChIKeyBMJNDWUCXNQAIY-UHFFFAOYSA-N
XLogP4.44
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]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 N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 167271421) is N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(C)C)n(CC(F)F)n4)n(C)c3c2)ccn1.
What is the InChIKey of N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is BMJNDWUCXNQAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N8O2/c1-12(2)16-9-20(30-32(16)11-18(23)24)28-22-29-21-17(31(22)4)7-15(10-26-21)34-14-5-6-25-19(8-14)27-13(3)33/h5-10,12,18H,11H2,1-4H3,(H,25,27,33)(H,26,28,29,30).
What are the key properties of N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 470.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-(2,2-difluoroethyl)-5-propan-2-ylpyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 167271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).