1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea

C22H22N6O2 — CID 53021931

IUPAC1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1
InChIInChI=1S/C22H22N6O2/c1-2-30-18-7-5-17(6-8-18)26-22(29)25-14-15-28-20(16-9-12-23-13-10-16)27-19-4-3-11-24-21(19)28/h3-13H,2,14-15H2,1H3,(H2,25,26,29)
InChIKeyVKDHGDNPOZOFQE-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.71
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea

1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea (PubChem CID 53021931) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
PubChem CID53021931
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1
InChIInChI=1S/C22H22N6O2/c1-2-30-18-7-5-17(6-8-18)26-22(29)25-14-15-28-20(16-9-12-23-13-10-16)27-19-4-3-11-24-21(19)28/h3-13H,2,14-15H2,1H3,(H2,25,26,29)
InChIKeyVKDHGDNPOZOFQE-UHFFFAOYSA-N
XLogP3.71
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921
1-(4-chlorophenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 50788153
1-(3,5-dimethoxyphenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331611
1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021811
2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004144
3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004139
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905
N-[4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 46286493
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
1-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 50788173
1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331623
1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021844

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea (CID 53021931) is 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea is CCOc1ccc(NC(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea?
The InChIKey is VKDHGDNPOZOFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-2-30-18-7-5-17(6-8-18)26-22(29)25-14-15-28-20(16-9-12-23-13-10-16)27-19-4-3-11-24-21(19)28/h3-13H,2,14-15H2,1H3,(H2,25,26,29).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea?
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea has a molecular weight of 402.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 53021931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).