7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide

C26H29N7O3 — CID 144617487

IUPAC7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide
SMILESCOc1nc2ccccc2cc1-c1cnc(C(CCCCCC(N)=O)NC(=O)Cc2cnccn2)[nH]1
InChIInChI=1S/C26H29N7O3/c1-36-26-19(13-17-7-5-6-8-20(17)33-26)22-16-30-25(32-22)21(9-3-2-4-10-23(27)34)31-24(35)14-18-15-28-11-12-29-18/h5-8,11-13,15-16,21H,2-4,9-10,14H2,1H3,(H2,27,34)(H,30,32)(H,31,35)
InChIKeyIBDWGANNJIJBHG-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.26
Rot. Bonds12

About 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide

7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide (PubChem CID 144617487) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide.

Molecular Properties

Compound Name7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide
PubChem CID144617487
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide
SMILESCOc1nc2ccccc2cc1-c1cnc(C(CCCCCC(N)=O)NC(=O)Cc2cnccn2)[nH]1
InChIInChI=1S/C26H29N7O3/c1-36-26-19(13-17-7-5-6-8-20(17)33-26)22-16-30-25(32-22)21(9-3-2-4-10-23(27)34)31-24(35)14-18-15-28-11-12-29-18/h5-8,11-13,15-16,21H,2-4,9-10,14H2,1H3,(H2,27,34)(H,30,32)(H,31,35)
InChIKeyIBDWGANNJIJBHG-UHFFFAOYSA-N
XLogP3.26
TPSA148.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7S)-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(3-morpholin-4-ylpropanoylamino)heptanamide
CID 90149160
(7S)-7-[3-(2-ethylbenzimidazol-1-yl)propanoylamino]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]heptanamide
CID 90149274
2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide
CID 164625922
7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide
CID 118453343
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]formamide
CID 166912612
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 118453290
7-[[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methylheptanamide
CID 118453165
(7S)-7-[[1-azabicyclo[2.2.2]octan-4-yl(hydroxy)methyl]amino]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methylheptanamide
CID 130373668
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-5-methyl-5-azaspiro[2.3]hexane-2-carboxamide
CID 162506701
(2R)-N-[1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 166729369
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide
CID 164625443
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-[(2-methylsulfanylbenzoyl)amino]pentyl]-1-methylazetidine-3-carboxamide
CID 164787864

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide?
The IUPAC name of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide (CID 144617487) is 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide.
What is the SMILES notation for 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide?
The canonical SMILES for 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide is COc1nc2ccccc2cc1-c1cnc(C(CCCCCC(N)=O)NC(=O)Cc2cnccn2)[nH]1.
What is the InChIKey of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide?
The InChIKey is IBDWGANNJIJBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-36-26-19(13-17-7-5-6-8-20(17)33-26)22-16-30-25(32-22)21(9-3-2-4-10-23(27)34)31-24(35)14-18-15-28-11-12-29-18/h5-8,11-13,15-16,21H,2-4,9-10,14H2,1H3,(H2,27,34)(H,30,32)(H,31,35).
What are the key properties of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide?
7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide has a molecular weight of 487.56 g/mol, XLogP of 3.26, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide is sourced from PubChem (CID 144617487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).