1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one

C27H25N5O2 — CID 126504506

IUPAC1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4ncc5c(c4c3)CCN(Cc3ccccc3)C5)c12
InChIInChI=1S/C27H25N5O2/c1-2-34-24-10-12-28-26-25(24)32(27(33)30-26)20-8-9-23-22(14-20)21-11-13-31(17-19(21)15-29-23)16-18-6-4-3-5-7-18/h3-10,12,14-15H,2,11,13,16-17H2,1H3,(H,28,30,33)
InChIKeyOIKSERNHRRHSKU-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.22
Rot. Bonds5

About 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one

1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 126504506) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID126504506
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccnc2[nH]c(=O)n(-c3ccc4ncc5c(c4c3)CCN(Cc3ccccc3)C5)c12
InChIInChI=1S/C27H25N5O2/c1-2-34-24-10-12-28-26-25(24)32(27(33)30-26)20-8-9-23-22(14-20)21-11-13-31(17-19(21)15-29-23)16-18-6-4-3-5-7-18/h3-10,12,14-15H,2,11,13,16-17H2,1H3,(H,28,30,33)
InChIKeyOIKSERNHRRHSKU-UHFFFAOYSA-N
XLogP4.22
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-pyrrolidin-1-ylquinolin-6-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 126504682
1-(3,4-dimethoxyquinolin-6-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504416
1-(4-amino-2-methoxyquinolin-6-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one
CID 126504802
6-benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 134914509
6-[(3,4-diethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929977
5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44633107
7-[(3,4-diethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865008
11-benzyl-4-(4-fluorophenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
CID 134122347
1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyltetrazol-5-one
CID 9319549
6-[(3-ethoxyphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960622
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one (CID 126504506) is 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one is CCOc1ccnc2[nH]c(=O)n(-c3ccc4ncc5c(c4c3)CCN(Cc3ccccc3)C5)c12.
What is the InChIKey of 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is OIKSERNHRRHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-2-34-24-10-12-28-26-25(24)32(27(33)30-26)20-8-9-23-22(14-20)21-11-13-31(17-19(21)15-29-23)16-18-6-4-3-5-7-18/h3-10,12,14-15H,2,11,13,16-17H2,1H3,(H,28,30,33).
What are the key properties of 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one?
1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 451.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2,4-dihydro-1H-benzo[c][2,7]naphthyridin-9-yl)-7-ethoxy-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 126504506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).