imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid

C57H57N11O4 — CID 158341580

IUPACimidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid
SMILESCc1ccc(C(=O)CCc2ccc3nccn3c2)cc1.Cc1ccc(C(=O)NCc2ccn3ccnc3c2)cc1.Cc1ccc(C(=O)O)cc1.NCc1ccc2nccn2c1.NCc1ccn2ccnc2c1
InChIInChI=1S/C17H16N2O.C16H15N3O.2C8H9N3.C8H8O2/c1-13-2-6-15(7-3-13)16(20)8-4-14-5-9-17-18-10-11-19(17)12-14;1-12-2-4-14(5-3-12)16(20)18-11-13-6-8-19-9-7-17-15(19)10-13;9-6-7-1-3-11-4-2-10-8(11)5-7;9-5-7-1-2-8-10-3-4-11(8)6-7;1-6-2-4-7(5-3-6)8(9)10/h2-3,5-7,9-12H,4,8H2,1H3;2-10H,11H2,1H3,(H,18,20);1-5H,6,9H2;1-4,6H,5,9H2;2-5H,1H3,(H,9,10)
InChIKeyGRFOCTRIBDZDFR-UHFFFAOYSA-N
MW960.16 g/mol
LogP9.31
Rot. Bonds10

About imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid

imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid (PubChem CID 158341580) has the molecular formula C57H57N11O4 and a molecular weight of 960.16 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid
PubChem CID158341580
Molecular FormulaC57H57N11O4
Molecular Weight960.16 g/mol
Exact Mass959.46
IUPAC Nameimidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid
SMILESCc1ccc(C(=O)CCc2ccc3nccn3c2)cc1.Cc1ccc(C(=O)NCc2ccn3ccnc3c2)cc1.Cc1ccc(C(=O)O)cc1.NCc1ccc2nccn2c1.NCc1ccn2ccnc2c1
InChIInChI=1S/C17H16N2O.C16H15N3O.2C8H9N3.C8H8O2/c1-13-2-6-15(7-3-13)16(20)8-4-14-5-9-17-18-10-11-19(17)12-14;1-12-2-4-14(5-3-12)16(20)18-11-13-6-8-19-9-7-17-15(19)10-13;9-6-7-1-3-11-4-2-10-8(11)5-7;9-5-7-1-2-8-10-3-4-11(8)6-7;1-6-2-4-7(5-3-6)8(9)10/h2-3,5-7,9-12H,4,8H2,1H3;2-10H,11H2,1H3,(H,18,20);1-5H,6,9H2;1-4,6H,5,9H2;2-5H,1H3,(H,9,10)
InChIKeyGRFOCTRIBDZDFR-UHFFFAOYSA-N
XLogP9.31
TPSA204.71 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500960.16
LogP ≤ 59.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid 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

4-[6-[4-(4-Methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzoic acid
CID 145972396
4-[[[5-[2-(2-Amino-3-pyridyl)-5-phenyl-imidazo[4,5-b]pyridin-3-yl]-2-pyridyl]amino]methyl]-3-fluoro-benzoic acid
CID 176267903
4-((5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)-3-fluorobenzoic acid
CID 176268025
4-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)-3-fluorobenzoic acid
CID 176268153
4-((5-(2-(2-aminopyridin-3-yl)-5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)benzoic acid
CID 176268176
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821459
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,5-difluorobenzoic acid
CID 177821462
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,6-difluorobenzoic acid
CID 177821464
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-6-methyl-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821467
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
CID 157391324
1-[3-[7-[3-(3-Methylimidazol-4-yl)propanoyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 157444986
N-ethyl-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
CID 157526992

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid?
The IUPAC name of imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid (CID 158341580) is imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid.
What is the SMILES notation for imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid?
The canonical SMILES for imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid is Cc1ccc(C(=O)CCc2ccc3nccn3c2)cc1.Cc1ccc(C(=O)NCc2ccn3ccnc3c2)cc1.Cc1ccc(C(=O)O)cc1.NCc1ccc2nccn2c1.NCc1ccn2ccnc2c1.
What is the InChIKey of imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid?
The InChIKey is GRFOCTRIBDZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.C16H15N3O.2C8H9N3.C8H8O2/c1-13-2-6-15(7-3-13)16(20)8-4-14-5-9-17-18-10-11-19(17)12-14;1-12-2-4-14(5-3-12)16(20)18-11-13-6-8-19-9-7-17-15(19)10-13;9-6-7-1-3-11-4-2-10-8(11)5-7;9-5-7-1-2-8-10-3-4-11(8)6-7;1-6-2-4-7(5-3-6)8(9)10/h2-3,5-7,9-12H,4,8H2,1H3;2-10H,11H2,1H3,(H,18,20);1-5H,6,9H2;1-4,6H,5,9H2;2-5H,1H3,(H,9,10).
What are the key properties of imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid?
imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid has a molecular weight of 960.16 g/mol, XLogP of 9.31, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-6-ylmethanamine;imidazo[1,2-a]pyridin-7-ylmethanamine;N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-methylbenzamide;3-imidazo[1,2-a]pyridin-6-yl-1-(4-methylphenyl)propan-1-one;4-methylbenzoic acid is sourced from PubChem (CID 158341580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).