1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea

C25H25Cl2N5O — CID 3212407

IUPAC1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
SMILESCCCCc1nc2c(C)c(NC(=O)Nc3ccc(Cl)cc3)cnc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2N5O/c1-3-4-5-22-31-23-16(2)21(30-25(33)29-20-12-10-19(27)11-13-20)14-28-24(23)32(22)15-17-6-8-18(26)9-7-17/h6-14H,3-5,15H2,1-2H3,(H2,29,30,33)
InChIKeyBSPJQUVLYSCJRS-UHFFFAOYSA-N
MW482.42 g/mol
LogP7.08
Rot. Bonds7

About 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea

1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea (PubChem CID 3212407) has the molecular formula C25H25Cl2N5O and a molecular weight of 482.42 g/mol. Its IUPAC name is 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
PubChem CID3212407
Molecular FormulaC25H25Cl2N5O
Molecular Weight482.42 g/mol
Exact Mass481.14
IUPAC Name1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
SMILESCCCCc1nc2c(C)c(NC(=O)Nc3ccc(Cl)cc3)cnc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H25Cl2N5O/c1-3-4-5-22-31-23-16(2)21(30-25(33)29-20-12-10-19(27)11-13-20)14-28-24(23)32(22)15-17-6-8-18(26)9-7-17/h6-14H,3-5,15H2,1-2H3,(H2,29,30,33)
InChIKeyBSPJQUVLYSCJRS-UHFFFAOYSA-N
XLogP7.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]urea
CID 3212409
N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide
CID 3212401
1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea
CID 3204062
N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide
CID 5113824
1-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3204080
1-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3197696
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3204071
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
CID 3205884
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
N-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
CID 19754054
N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197681

Frequently Asked Questions

What is the IUPAC name of 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea (CID 3212407) is 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea is CCCCc1nc2c(C)c(NC(=O)Nc3ccc(Cl)cc3)cnc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea?
The InChIKey is BSPJQUVLYSCJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N5O/c1-3-4-5-22-31-23-16(2)21(30-25(33)29-20-12-10-19(27)11-13-20)14-28-24(23)32(22)15-17-6-8-18(26)9-7-17/h6-14H,3-5,15H2,1-2H3,(H2,29,30,33).
What are the key properties of 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea?
1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea has a molecular weight of 482.42 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 3212407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).