1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one

C34H30N6O3 — CID 121249781

IUPAC1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one
SMILESCc1ccc(-n2ccn(-c3cccc(-c4ccnc5nc(-c6ccc(C(=O)N7CCOCC7)cc6)[nH]c45)c3C)c2=O)cc1
InChIInChI=1S/C34H30N6O3/c1-22-6-12-26(13-7-22)39-16-17-40(34(39)42)29-5-3-4-27(23(29)2)28-14-15-35-32-30(28)36-31(37-32)24-8-10-25(11-9-24)33(41)38-18-20-43-21-19-38/h3-17H,18-21H2,1-2H3,(H,35,36,37)
InChIKeyXMCYPIAHZXDURE-UHFFFAOYSA-N
MW570.65 g/mol
LogP5.32
Rot. Bonds5

About 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one

1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one (PubChem CID 121249781) has the molecular formula C34H30N6O3 and a molecular weight of 570.65 g/mol. Its IUPAC name is 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one
PubChem CID121249781
Molecular FormulaC34H30N6O3
Molecular Weight570.65 g/mol
Exact Mass570.24
IUPAC Name1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one
SMILESCc1ccc(-n2ccn(-c3cccc(-c4ccnc5nc(-c6ccc(C(=O)N7CCOCC7)cc6)[nH]c45)c3C)c2=O)cc1
InChIInChI=1S/C34H30N6O3/c1-22-6-12-26(13-7-22)39-16-17-40(34(39)42)29-5-3-4-27(23(29)2)28-14-15-35-32-30(28)36-31(37-32)24-8-10-25(11-9-24)33(41)38-18-20-43-21-19-38/h3-17H,18-21H2,1-2H3,(H,35,36,37)
InChIKeyXMCYPIAHZXDURE-UHFFFAOYSA-N
XLogP5.32
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one with MolForge

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Related Compounds

[2-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-6-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl acetate
CID 121249755
1-(3,3-dimethyl-2H-1-benzofuran-6-yl)-2-[5-fluoro-2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone
CID 157079261
[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 25028462
[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 143435161
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 138532197
2-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]oxy-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
CID 118537640
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
CID 58585961
[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone
CID 155052769
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one?
The IUPAC name of 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one (CID 121249781) is 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one.
What is the SMILES notation for 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one?
The canonical SMILES for 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one is Cc1ccc(-n2ccn(-c3cccc(-c4ccnc5nc(-c6ccc(C(=O)N7CCOCC7)cc6)[nH]c45)c3C)c2=O)cc1.
What is the InChIKey of 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one?
The InChIKey is XMCYPIAHZXDURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6O3/c1-22-6-12-26(13-7-22)39-16-17-40(34(39)42)29-5-3-4-27(23(29)2)28-14-15-35-32-30(28)36-31(37-32)24-8-10-25(11-9-24)33(41)38-18-20-43-21-19-38/h3-17H,18-21H2,1-2H3,(H,35,36,37).
What are the key properties of 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one?
1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one has a molecular weight of 570.65 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one is sourced from PubChem (CID 121249781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).