7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

C24H27N5O3 — CID 126504526

IUPAC7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccnc2ccc(-n3c(=O)[nH]c4nccc(OC5CCC(N(C)C)CC5)c43)cc12
InChIInChI=1S/C24H27N5O3/c1-28(2)15-4-7-17(8-5-15)32-21-11-13-26-23-22(21)29(24(30)27-23)16-6-9-19-18(14-16)20(31-3)10-12-25-19/h6,9-15,17H,4-5,7-8H2,1-3H3,(H,26,27,30)
InChIKeyIANUAIXQRAPBHF-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.52
Rot. Bonds5

About 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one

7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 126504526) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID126504526
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccnc2ccc(-n3c(=O)[nH]c4nccc(OC5CCC(N(C)C)CC5)c43)cc12
InChIInChI=1S/C24H27N5O3/c1-28(2)15-4-7-17(8-5-15)32-21-11-13-26-23-22(21)29(24(30)27-23)16-6-9-19-18(14-16)20(31-3)10-12-25-19/h6,9-15,17H,4-5,7-8H2,1-3H3,(H,26,27,30)
InChIKeyIANUAIXQRAPBHF-UHFFFAOYSA-N
XLogP3.52
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

1-(4-ethoxyquinolin-6-yl)-7-methoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504485
1-(3,4-dimethoxyquinolin-6-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504416
7-ethoxy-1-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504682
7-ethoxy-1-(4-piperazin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504543
7-ethoxy-1-(4-methoxy-3-pyridin-4-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504612
1-(4-amino-2-methoxyquinolin-6-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504802
1-(1,2-dihydrofuro[2,3-c]quinolin-8-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126505040
7-ethoxy-1-(8-fluoro-4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504387
4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
CID 139337026
ethane;4-(4-methoxyquinolin-6-yl)-2,6-dimethylmorpholine
CID 157043902
7-ethoxy-1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-c]quinolin-9-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504847
1-[4-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxycyclohexyl]-1,3,3-trimethylurea
CID 58294900

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 126504526) is 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is COc1ccnc2ccc(-n3c(=O)[nH]c4nccc(OC5CCC(N(C)C)CC5)c43)cc12.
What is the InChIKey of 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IANUAIXQRAPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-28(2)15-4-7-17(8-5-15)32-21-11-13-26-23-22(21)29(24(30)27-23)16-6-9-19-18(14-16)20(31-3)10-12-25-19/h6,9-15,17H,4-5,7-8H2,1-3H3,(H,26,27,30).
What are the key properties of 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one?
7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)cyclohexyl]oxy-1-(4-methoxyquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 126504526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).