N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide

C21H16F3N5O — CID 58486948

IUPACN-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)cn4ccnc34)c(N)n2)cc1
InChIInChI=1S/C21H16F3N5O/c1-12-2-4-13(5-3-12)20(30)28-17-7-6-15(18(25)27-17)16-10-14(21(22,23)24)11-29-9-8-26-19(16)29/h2-11H,1H3,(H3,25,27,28,30)
InChIKeySBMMYPUXHKRKGL-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.56
Rot. Bonds3

About N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide

N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 58486948) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
PubChem CID58486948
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)cn4ccnc34)c(N)n2)cc1
InChIInChI=1S/C21H16F3N5O/c1-12-2-4-13(5-3-12)20(30)28-17-7-6-15(18(25)27-17)16-10-14(21(22,23)24)11-29-9-8-26-19(16)29/h2-11H,1H3,(H3,25,27,28,30)
InChIKeySBMMYPUXHKRKGL-UHFFFAOYSA-N
XLogP4.56
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487003
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487462
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
CID 121381941
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
N-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-4-methylbenzamide
CID 110208508
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673003
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide (CID 58486948) is N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)cn4ccnc34)c(N)n2)cc1.
What is the InChIKey of N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is SBMMYPUXHKRKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-12-2-4-13(5-3-12)20(30)28-17-7-6-15(18(25)27-17)16-10-14(21(22,23)24)11-29-9-8-26-19(16)29/h2-11H,1H3,(H3,25,27,28,30).
What are the key properties of N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 411.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 58486948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).