methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

C21H16Cl2N6O4 — CID 10117079

IUPACmethyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(Cl)ccc4Cl)cc3)ccc2[nH]1
InChIInChI=1S/C21H16Cl2N6O4/c1-32-21(31)29-19-25-15-8-9-17(27-18(15)28-19)33-13-5-3-12(4-6-13)24-20(30)26-16-10-11(22)2-7-14(16)23/h2-10H,1H3,(H2,24,26,30)(H2,25,27,28,29,31)
InChIKeyNHUMRFDJKXSTSH-UHFFFAOYSA-N
MW487.30 g/mol
LogP5.88
Rot. Bonds5

About methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (PubChem CID 10117079) has the molecular formula C21H16Cl2N6O4 and a molecular weight of 487.30 g/mol. Its IUPAC name is methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
PubChem CID10117079
Molecular FormulaC21H16Cl2N6O4
Molecular Weight487.30 g/mol
Exact Mass486.06
IUPAC Namemethyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(Cl)ccc4Cl)cc3)ccc2[nH]1
InChIInChI=1S/C21H16Cl2N6O4/c1-32-21(31)29-19-25-15-8-9-17(27-18(15)28-19)33-13-5-3-12(4-6-13)24-20(30)26-16-10-11(22)2-7-14(16)23/h2-10H,1H3,(H2,24,26,30)(H2,25,27,28,29,31)
InChIKeyNHUMRFDJKXSTSH-UHFFFAOYSA-N
XLogP5.88
TPSA130.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.30
LogP ≤ 55.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate with MolForge

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Related Compounds

methane;methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride
CID 161063717
methyl N-[6-[[5-[(2,5-dichlorophenyl)carbamoylamino]-2-pyridinyl]oxy]-1H-benzimidazol-2-yl]carbamate
CID 58905694
methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride
CID 160581927
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774083
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
methanesulfonic acid;methyl N-[6-[[5-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-1H-benzimidazol-2-yl]carbamate
CID 87824817
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304687
1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea
CID 126644832
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(2-chlorophenyl)-3-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309284

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (CID 10117079) is methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(Cl)ccc4Cl)cc3)ccc2[nH]1.
What is the InChIKey of methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The InChIKey is NHUMRFDJKXSTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N6O4/c1-32-21(31)29-19-25-15-8-9-17(27-18(15)28-19)33-13-5-3-12(4-6-13)24-20(30)26-16-10-11(22)2-7-14(16)23/h2-10H,1H3,(H2,24,26,30)(H2,25,27,28,29,31).
What are the key properties of methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate has a molecular weight of 487.30 g/mol, XLogP of 5.88, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[4-[(2,5-dichlorophenyl)carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is sourced from PubChem (CID 10117079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).