N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C24H25N7O3 — CID 157042158

IUPACN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2C)ccn1
InChIInChI=1S/C24H25N7O3/c1-13-19(34-17-7-8-25-20(10-17)27-14(2)32)11-26-22-21(13)31(4)24(29-22)28-18-9-16(15-5-6-15)12-30(3)23(18)33/h7-12,15H,5-6H2,1-4H3,(H,25,27,32)(H,26,28,29)
InChIKeyASQNKUVTFGAYGR-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042158) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157042158
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2C)ccn1
InChIInChI=1S/C24H25N7O3/c1-13-19(34-17-7-8-25-20(10-17)27-14(2)32)11-26-22-21(13)31(4)24(29-22)28-18-9-16(15-5-6-15)12-30(3)23(18)33/h7-12,15H,5-6H2,1-4H3,(H,25,27,32)(H,26,28,29)
InChIKeyASQNKUVTFGAYGR-UHFFFAOYSA-N
XLogP3.74
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157042158) is N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2C)ccn1.
What is the InChIKey of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is ASQNKUVTFGAYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-13-19(34-17-7-8-25-20(10-17)27-14(2)32)11-26-22-21(13)31(4)24(29-22)28-18-9-16(15-5-6-15)12-30(3)23(18)33/h7-12,15H,5-6H2,1-4H3,(H,25,27,32)(H,26,28,29).
What are the key properties of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).