N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H30N6O2 — CID 123966006

IUPACN-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)Nc2cccc3c2CCN(C)C3)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C28H30N6O2/c1-18-10-11-20(15-24(18)31-27(35)25-16-29-26-9-4-5-13-34(25)26)19(2)30-28(36)32-23-8-6-7-21-17-33(3)14-12-22(21)23/h4-11,13,15-16,19H,12,14,17H2,1-3H3,(H,31,35)(H2,30,32,36)
InChIKeyZJIXEBBPVBWNJL-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.77
Rot. Bonds5

About N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123966006) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123966006
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC NameN-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)Nc2cccc3c2CCN(C)C3)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C28H30N6O2/c1-18-10-11-20(15-24(18)31-27(35)25-16-29-26-9-4-5-13-34(25)26)19(2)30-28(36)32-23-8-6-7-21-17-33(3)14-12-22(21)23/h4-11,13,15-16,19H,12,14,17H2,1-3H3,(H,31,35)(H2,30,32,36)
InChIKeyZJIXEBBPVBWNJL-UHFFFAOYSA-N
XLogP4.77
TPSA90.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide 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

N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123738439
N-[5-[(1S)-1-[[5-[(dimethylamino)methyl]-2-fluorophenyl]carbamoylamino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764686
N-[5-[(1S)-1-[[3-(2,2-difluoroethoxy)benzoyl]amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764466
N-[2-methyl-5-[(1S)-2-methyl-1-[[3-(trifluoromethyl)benzoyl]amino]propyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771694
N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123197112
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
N-[2-methyl-5-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171795473
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771651
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771693
ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771657
N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123638257
tert-butyl N-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]carbamate
CID 71280675

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 123966006) is N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)Nc2cccc3c2CCN(C)C3)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZJIXEBBPVBWNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-18-10-11-20(15-24(18)31-27(35)25-16-29-26-9-4-5-13-34(25)26)19(2)30-28(36)32-23-8-6-7-21-17-33(3)14-12-22(21)23/h4-11,13,15-16,19H,12,14,17H2,1-3H3,(H,31,35)(H2,30,32,36).
What are the key properties of N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[1-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)carbamoylamino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123966006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).