2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone

C26H27N7O3 — CID 118396089

IUPAC2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
SMILESC[C@@H]1CN(c2cccc3c2CN(C(=O)c2cocn2)CC3)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C26H27N7O3/c1-18-12-30(10-11-33(18)24(34)14-32-16-28-21-5-3-8-27-25(21)32)23-6-2-4-19-7-9-31(13-20(19)23)26(35)22-15-36-17-29-22/h2-6,8,15-18H,7,9-14H2,1H3/t18-/m1/s1
InChIKeySUQFUXKRVVMFBD-GOSISDBHSA-N
MW485.55 g/mol
LogP2.36
Rot. Bonds4

About 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone

2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone (PubChem CID 118396089) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
PubChem CID118396089
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
SMILESC[C@@H]1CN(c2cccc3c2CN(C(=O)c2cocn2)CC3)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C26H27N7O3/c1-18-12-30(10-11-33(18)24(34)14-32-16-28-21-5-3-8-27-25(21)32)23-6-2-4-19-7-9-31(13-20(19)23)26(35)22-15-36-17-29-22/h2-6,8,15-18H,7,9-14H2,1H3/t18-/m1/s1
InChIKeySUQFUXKRVVMFBD-GOSISDBHSA-N
XLogP2.36
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone 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

US11814384, Example 184
CID 169077565
[4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 121309778
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-4-[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-8-yl]-2-methylpiperazin-1-yl]ethanone
CID 118396223
2-Imidazo[4,5-b]pyridin-3-yl-1-{(R)-4-[2-(6-methoxy-pyrazin-2-yl)-1,2,3,4-tetrahydro-isoquinolin-8-yl]-2-methyl-piperazin-1-yl}-ethanone
CID 118396327
N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 138585619
2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585659
[3-(6-Imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110267912
2-ethyl-N-methyl-N-(5-quinolinylmethyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 70737637
2-[2-[2-(3H-benzo[e]benzimidazol-2-yl)ethylamino]ethyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 166083830
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 166083856
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[6-(2-methylphenyl)-1H-benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 166083874
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 166083878

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone (CID 118396089) is 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone is C[C@@H]1CN(c2cccc3c2CN(C(=O)c2cocn2)CC3)CCN1C(=O)Cn1cnc2cccnc21.
What is the InChIKey of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone?
The InChIKey is SUQFUXKRVVMFBD-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-18-12-30(10-11-33(18)24(34)14-32-16-28-21-5-3-8-27-25(21)32)23-6-2-4-19-7-9-31(13-20(19)23)26(35)22-15-36-17-29-22/h2-6,8,15-18H,7,9-14H2,1H3/t18-/m1/s1.
What are the key properties of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone?
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone has a molecular weight of 485.55 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118396089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).