N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide

C15H12F3N5O — CID 155961645

IUPACN-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESC[C@@H](NC(=O)c1ccn2ccnc2n1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H12F3N5O/c1-9(10-2-3-12(20-8-10)15(16,17)18)21-13(24)11-4-6-23-7-5-19-14(23)22-11/h2-9H,1H3,(H,21,24)/t9-/m1/s1
InChIKeyBNXQTXQXKWELOO-SECBINFHSA-N
MW335.29 g/mol
LogP2.63
Rot. Bonds3

About N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide

N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 155961645) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID155961645
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESC[C@@H](NC(=O)c1ccn2ccnc2n1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H12F3N5O/c1-9(10-2-3-12(20-8-10)15(16,17)18)21-13(24)11-4-6-23-7-5-19-14(23)22-11/h2-9H,1H3,(H,21,24)/t9-/m1/s1
InChIKeyBNXQTXQXKWELOO-SECBINFHSA-N
XLogP2.63
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 167853535
2-oxo-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1H-pyridine-4-carboxamide
CID 155955914
N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167794775
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917889
ethyl imidazo[1,2-a]pyrimidine-7-carboxylate
CID 51358225
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167919378
N-[1-(3-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46518843
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
CID 58449362

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide (CID 155961645) is N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide is C[C@@H](NC(=O)c1ccn2ccnc2n1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is BNXQTXQXKWELOO-SECBINFHSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-9(10-2-3-12(20-8-10)15(16,17)18)21-13(24)11-4-6-23-7-5-19-14(23)22-11/h2-9H,1H3,(H,21,24)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide?
N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 155961645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).