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

C23H22ClN7O3 — CID 157042491

IUPACN-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2Cl)ccn1
InChIInChI=1S/C23H22ClN7O3/c1-12(32)27-18-9-15(6-7-25-18)34-17-10-26-21-20(19(17)24)31(3)23(29-21)28-16-8-14(13-4-5-13)11-30(2)22(16)33/h6-11,13H,4-5H2,1-3H3,(H,25,27,32)(H,26,28,29)
InChIKeyJNWDXIPHYNVISJ-UHFFFAOYSA-N
MW479.93 g/mol
LogP4.09
Rot. Bonds6

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

N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042491) has the molecular formula C23H22ClN7O3 and a molecular weight of 479.93 g/mol. Its IUPAC name is N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157042491
Molecular FormulaC23H22ClN7O3
Molecular Weight479.93 g/mol
Exact Mass479.15
IUPAC NameN-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2Cl)ccn1
InChIInChI=1S/C23H22ClN7O3/c1-12(32)27-18-9-15(6-7-25-18)34-17-10-26-21-20(19(17)24)31(3)23(29-21)28-16-8-14(13-4-5-13)11-30(2)22(16)33/h6-11,13H,4-5H2,1-3H3,(H,25,27,32)(H,26,28,29)
InChIKeyJNWDXIPHYNVISJ-UHFFFAOYSA-N
XLogP4.09
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157042491) is N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C5CC5)cn(C)c4=O)n(C)c3c2Cl)ccn1.
What is the InChIKey of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is JNWDXIPHYNVISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O3/c1-12(32)27-18-9-15(6-7-25-18)34-17-10-26-21-20(19(17)24)31(3)23(29-21)28-16-8-14(13-4-5-13)11-30(2)22(16)33/h6-11,13H,4-5H2,1-3H3,(H,25,27,32)(H,26,28,29).
What are the key properties of N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 479.93 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-2-[(5-cyclopropyl-1-methyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).