1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

C43H40N10O4 — CID 159726726

IUPAC1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(=O)[nH]c4)ccn23)c1.CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(OC)nc4)ccn23)c1
InChIInChI=1S/C22H21N5O2.C21H19N5O2/c1-3-23-22(28)26-18-6-4-5-16(11-18)19-14-24-20-12-15(9-10-27(19)20)17-7-8-21(29-2)25-13-17;1-2-22-21(28)25-17-5-3-4-15(10-17)18-13-23-19-11-14(8-9-26(18)19)16-6-7-20(27)24-12-16/h4-14H,3H2,1-2H3,(H2,23,26,28);3-13H,2H2,1H3,(H,24,27)(H2,22,25,28)
InChIKeyNASOGDPVJVSWFG-UHFFFAOYSA-N
MW760.86 g/mol
LogP7.71
Rot. Bonds9

About 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea

1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (PubChem CID 159726726) has the molecular formula C43H40N10O4 and a molecular weight of 760.86 g/mol. Its IUPAC name is 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
PubChem CID159726726
Molecular FormulaC43H40N10O4
Molecular Weight760.86 g/mol
Exact Mass760.32
IUPAC Name1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(=O)[nH]c4)ccn23)c1.CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(OC)nc4)ccn23)c1
InChIInChI=1S/C22H21N5O2.C21H19N5O2/c1-3-23-22(28)26-18-6-4-5-16(11-18)19-14-24-20-12-15(9-10-27(19)20)17-7-8-21(29-2)25-13-17;1-2-22-21(28)25-17-5-3-4-15(10-17)18-13-23-19-11-14(8-9-26(18)19)16-6-7-20(27)24-12-16/h4-14H,3H2,1-2H3,(H2,23,26,28);3-13H,2H2,1H3,(H,24,27)(H2,22,25,28)
InChIKeyNASOGDPVJVSWFG-UHFFFAOYSA-N
XLogP7.71
TPSA171.84 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.86
LogP ≤ 57.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea with MolForge

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Related Compounds

1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 59320921
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851
1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68621756
N-ethyl-3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide;formic acid
CID 68595103
1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321072
1-[3-(7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320981
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
tert-butyl 4-[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 143706940
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
1-ethyl-3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea
CID 11461082
1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143908026

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea (CID 159726726) is 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(=O)[nH]c4)ccn23)c1.CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(OC)nc4)ccn23)c1.
What is the InChIKey of 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
The InChIKey is NASOGDPVJVSWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.C21H19N5O2/c1-3-23-22(28)26-18-6-4-5-16(11-18)19-14-24-20-12-15(9-10-27(19)20)17-7-8-21(29-2)25-13-17;1-2-22-21(28)25-17-5-3-4-15(10-17)18-13-23-19-11-14(8-9-26(18)19)16-6-7-20(27)24-12-16/h4-14H,3H2,1-2H3,(H2,23,26,28);3-13H,2H2,1H3,(H,24,27)(H2,22,25,28).
What are the key properties of 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea?
1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea has a molecular weight of 760.86 g/mol, XLogP of 7.71, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;1-ethyl-3-[3-[7-(6-oxo-1H-pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 159726726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).