1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane

C27H33N5O3 — CID 91520480

IUPAC1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane
SMILESCC.Cc1c(C)c(Oc2ccnc3c2n(C)c(=O)n3C)c(C)c(C)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C25H27N5O3.C2H6/c1-14-16(3)22(33-19-12-13-26-23-21(19)29(5)25(32)30(23)6)17(4)15(2)20(14)28-24(31)27-18-10-8-7-9-11-18;1-2/h7-13H,1-6H3,(H2,27,28,31);1-2H3
InChIKeyCAKVJQZEIPTIEP-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.97
Rot. Bonds4

About 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane

1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane (PubChem CID 91520480) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane.

Molecular Properties

Compound Name1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane
PubChem CID91520480
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane
SMILESCC.Cc1c(C)c(Oc2ccnc3c2n(C)c(=O)n3C)c(C)c(C)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C25H27N5O3.C2H6/c1-14-16(3)22(33-19-12-13-26-23-21(19)29(5)25(32)30(23)6)17(4)15(2)20(14)28-24(31)27-18-10-8-7-9-11-18;1-2/h7-13H,1-6H3,(H2,27,28,31);1-2H3
InChIKeyCAKVJQZEIPTIEP-UHFFFAOYSA-N
XLogP5.97
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198319
Pyridoimidazolone, 5e
CID 42626193
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-N'-[2-methoxy-5-(trifluoromethyl)phenyl]-
CID 42626197
N-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-5-methoxy-6-(trifluoromethyl)indoline-1-carboxamide
CID 10837002
Pyridoimidazolone, 5k
CID 42626266
Pyridoimidazolone, 5p
CID 42626338
Pyridoimidazolone, 5r
CID 42626339
Pyridoimidazolone, 5s
CID 42626340
Pyridoimidazolone, 28b
CID 42625245
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [6-(pyridin-3-yloxy)-pyridin-3-yl]-amide
CID 10526616
1-(5-Phenyl pyrid-3-yl carbamoyl)-5-methoxy-6-trifluoromethyl indoline
CID 10835537
1-(4-(3-Amino-2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 44132374

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane?
The IUPAC name of 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane (CID 91520480) is 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane.
What is the SMILES notation for 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane?
The canonical SMILES for 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane is CC.Cc1c(C)c(Oc2ccnc3c2n(C)c(=O)n3C)c(C)c(C)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane?
The InChIKey is CAKVJQZEIPTIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C2H6/c1-14-16(3)22(33-19-12-13-26-23-21(19)29(5)25(32)30(23)6)17(4)15(2)20(14)28-24(31)27-18-10-8-7-9-11-18;1-2/h7-13H,1-6H3,(H2,27,28,31);1-2H3.
What are the key properties of 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane?
1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane has a molecular weight of 475.59 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2,3,5,6-tetramethylphenyl]-3-phenylurea;ethane is sourced from PubChem (CID 91520480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).