N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H28N6O2 — CID 123738439

IUPACN-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)Nc2cccc3c2CCNC3)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C27H28N6O2/c1-17-9-10-19(14-23(17)31-26(34)24-16-29-25-8-3-4-13-33(24)25)18(2)30-27(35)32-22-7-5-6-20-15-28-12-11-21(20)22/h3-10,13-14,16,18,28H,11-12,15H2,1-2H3,(H,31,34)(H2,30,32,35)
InChIKeyUBSAUZWNYVGVKE-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.42
Rot. Bonds5

About N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123738439) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123738439
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC NameN-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)Nc2cccc3c2CCNC3)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C27H28N6O2/c1-17-9-10-19(14-23(17)31-26(34)24-16-29-25-8-3-4-13-33(24)25)18(2)30-27(35)32-22-7-5-6-20-15-28-12-11-21(20)22/h3-10,13-14,16,18,28H,11-12,15H2,1-2H3,(H,31,34)(H2,30,32,35)
InChIKeyUBSAUZWNYVGVKE-UHFFFAOYSA-N
XLogP4.42
TPSA99.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123197112
N-[2-methyl-5-[(1S)-2-methyl-1-[[3-(trifluoromethyl)benzoyl]amino]propyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771694
azetidine;N-[2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796634
N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123638257
ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771657
N-(2-methyl-5-nitrophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 171795486
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771651
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80554412
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771693

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 123738439) is N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)Nc2cccc3c2CCNC3)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UBSAUZWNYVGVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-17-9-10-19(14-23(17)31-26(34)24-16-29-25-8-3-4-13-33(24)25)18(2)30-27(35)32-22-7-5-6-20-15-28-12-11-21(20)22/h3-10,13-14,16,18,28H,11-12,15H2,1-2H3,(H,31,34)(H2,30,32,35).
What are the key properties of N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123738439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).