N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C24H22F3N5O — CID 123584605

IUPACN-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cncc(C(F)(F)F)c2)cc1NCc1cnc2ccccn12
InChIInChI=1S/C24H22F3N5O/c1-15-6-7-17(10-21(15)29-13-20-14-30-22-5-3-4-8-32(20)22)16(2)31-23(33)18-9-19(12-28-11-18)24(25,26)27/h3-12,14,16,29H,13H2,1-2H3,(H,31,33)
InChIKeyVKFIGVULTNCJSO-UHFFFAOYSA-N
MW453.47 g/mol
LogP5.16
Rot. Bonds6

About N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 123584605) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID123584605
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC NameN-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cncc(C(F)(F)F)c2)cc1NCc1cnc2ccccn12
InChIInChI=1S/C24H22F3N5O/c1-15-6-7-17(10-21(15)29-13-20-14-30-22-5-3-4-8-32(20)22)16(2)31-23(33)18-9-19(12-28-11-18)24(25,26)27/h3-12,14,16,29H,13H2,1-2H3,(H,31,33)
InChIKeyVKFIGVULTNCJSO-UHFFFAOYSA-N
XLogP5.16
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[5-[(1S)-1-[[3-(2,2-difluoroethoxy)benzoyl]amino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764466
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 87021486
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
N-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809
N-[2-methyl-5-[1-(1,2,3,4-tetrahydroisoquinolin-5-ylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123738439
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
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 123584605) is N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cncc(C(F)(F)F)c2)cc1NCc1cnc2ccccn12.
What is the InChIKey of N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VKFIGVULTNCJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-15-6-7-17(10-21(15)29-13-20-14-30-22-5-3-4-8-32(20)22)16(2)31-23(33)18-9-19(12-28-11-18)24(25,26)27/h3-12,14,16,29H,13H2,1-2H3,(H,31,33).
What are the key properties of N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-4-methylphenyl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123584605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).