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

C27H27N5O3 — CID 91349844

IUPAC1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane
SMILESCC.Cn1c(=O)n(C)c2c(Oc3ccc(NC(=O)Nc4ccccc4)c4ccccc34)ccnc21
InChIInChI=1S/C25H21N5O3.C2H6/c1-29-22-21(14-15-26-23(22)30(2)25(29)32)33-20-13-12-19(17-10-6-7-11-18(17)20)28-24(31)27-16-8-4-3-5-9-16;1-2/h3-15H,1-2H3,(H2,27,28,31);1-2H3
InChIKeyKEMDEZHNHBLFEZ-UHFFFAOYSA-N
MW469.55 g/mol
LogP5.89
Rot. Bonds4

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

1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane (PubChem CID 91349844) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane.

Molecular Properties

Compound Name1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane
PubChem CID91349844
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane
SMILESCC.Cn1c(=O)n(C)c2c(Oc3ccc(NC(=O)Nc4ccccc4)c4ccccc34)ccnc21
InChIInChI=1S/C25H21N5O3.C2H6/c1-29-22-21(14-15-26-23(22)30(2)25(29)32)33-20-13-12-19(17-10-6-7-11-18(17)20)28-24(31)27-16-8-4-3-5-9-16;1-2/h3-15H,1-2H3,(H2,27,28,31);1-2H3
InChIKeyKEMDEZHNHBLFEZ-UHFFFAOYSA-N
XLogP5.89
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 9936768
3-[3-tert-butyl-1-(6-methoxypyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 10165915
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
Pyridoimidazolone, 5k
CID 42626266
Pyridoimidazolone, 5n
CID 42626269
Pyridoimidazolone, 5p
CID 42626338
Pyridoimidazolone, 5r
CID 42626339
Pyridoimidazolone, 5s
CID 42626340
1-(4-((1h-Pyrrolo[2,3-B]pyridin-4-Yl)oxy)phenyl)-3-(5-(4-Methylpiperazin-1-Yl)naphthalen-2-Yl)urea
CID 122235218
Pyridoimidazolone, 28b
CID 42625245

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane?
The IUPAC name of 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane (CID 91349844) is 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane.
What is the SMILES notation for 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane?
The canonical SMILES for 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane is CC.Cn1c(=O)n(C)c2c(Oc3ccc(NC(=O)Nc4ccccc4)c4ccccc34)ccnc21.
What is the InChIKey of 1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane?
The InChIKey is KEMDEZHNHBLFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3.C2H6/c1-29-22-21(14-15-26-23(22)30(2)25(29)32)33-20-13-12-19(17-10-6-7-11-18(17)20)28-24(31)27-16-8-4-3-5-9-16;1-2/h3-15H,1-2H3,(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)oxynaphthalen-1-yl]-3-phenylurea;ethane?
1-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxynaphthalen-1-yl]-3-phenylurea;ethane has a molecular weight of 469.55 g/mol, XLogP of 5.89, 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)oxynaphthalen-1-yl]-3-phenylurea;ethane is sourced from PubChem (CID 91349844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).