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

C22H18ClF3N6O3 — CID 167272278

IUPACN-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(NC4=CC(C(F)(F)F)=CC(C)C4=O)n(C)c3c2Cl)ccn1
InChIInChI=1S/C22H18ClF3N6O3/c1-10-6-12(22(24,25)26)7-14(19(10)34)30-21-31-20-18(32(21)3)17(23)15(9-28-20)35-13-4-5-27-16(8-13)29-11(2)33/h4-10H,1-3H3,(H,27,29,33)(H,28,30,31)
InChIKeyNGRPHPLDNQNTDE-UHFFFAOYSA-N
MW506.87 g/mol
LogP4.77
Rot. Bonds5

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

N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 167272278) has the molecular formula C22H18ClF3N6O3 and a molecular weight of 506.87 g/mol. Its IUPAC name is N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID167272278
Molecular FormulaC22H18ClF3N6O3
Molecular Weight506.87 g/mol
Exact Mass506.11
IUPAC NameN-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(NC4=CC(C(F)(F)F)=CC(C)C4=O)n(C)c3c2Cl)ccn1
InChIInChI=1S/C22H18ClF3N6O3/c1-10-6-12(22(24,25)26)7-14(19(10)34)30-21-31-20-18(32(21)3)17(23)15(9-28-20)35-13-4-5-27-16(8-13)29-11(2)33/h4-10H,1-3H3,(H,27,29,33)(H,28,30,31)
InChIKeyNGRPHPLDNQNTDE-UHFFFAOYSA-N
XLogP4.77
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.87
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 167272278) is N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(NC4=CC(C(F)(F)F)=CC(C)C4=O)n(C)c3c2Cl)ccn1.
What is the InChIKey of N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is NGRPHPLDNQNTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N6O3/c1-10-6-12(22(24,25)26)7-14(19(10)34)30-21-31-20-18(32(21)3)17(23)15(9-28-20)35-13-4-5-27-16(8-13)29-11(2)33/h4-10H,1-3H3,(H,27,29,33)(H,28,30,31).
What are the key properties of N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 506.87 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-1-methyl-2-[[5-methyl-6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 167272278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).