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

C23H22N6O4 — CID 157041761

IUPACN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Oc4cc(C5CC5)cn(C)c4=O)n(C)c3n2)ccn1
InChIInChI=1S/C23H22N6O4/c1-13(30)25-19-11-16(8-9-24-19)32-20-7-6-17-21(27-20)29(3)23(26-17)33-18-10-15(14-4-5-14)12-28(2)22(18)31/h6-12,14H,4-5H2,1-3H3,(H,24,25,30)
InChIKeyMGLJNPZVTQRGJL-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.48
Rot. Bonds6

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

N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157041761) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID157041761
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Oc4cc(C5CC5)cn(C)c4=O)n(C)c3n2)ccn1
InChIInChI=1S/C23H22N6O4/c1-13(30)25-19-11-16(8-9-24-19)32-20-7-6-17-21(27-20)29(3)23(26-17)33-18-10-15(14-4-5-14)12-28(2)22(18)31/h6-12,14H,4-5H2,1-3H3,(H,24,25,30)
InChIKeyMGLJNPZVTQRGJL-UHFFFAOYSA-N
XLogP3.48
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
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)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide (CID 157041761) is N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(Oc4cc(C5CC5)cn(C)c4=O)n(C)c3n2)ccn1.
What is the InChIKey of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is MGLJNPZVTQRGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-13(30)25-19-11-16(8-9-24-19)32-20-7-6-17-21(27-20)29(3)23(26-17)33-18-10-15(14-4-5-14)12-28(2)22(18)31/h6-12,14H,4-5H2,1-3H3,(H,24,25,30).
What are the key properties of N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 446.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 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)oxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157041761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).