2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide

C15H17F3N4O — CID 129329247

IUPAC2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H17F3N4O/c1-9-11(4-5-19-9)14(23)20-6-10-2-3-13-21-12(15(16,17)18)8-22(13)7-10/h4-5,8,10,19H,2-3,6-7H2,1H3,(H,20,23)/t10-/m0/s1
InChIKeyDUQCMPMRNLWIAG-JTQLQIEISA-N
MW326.32 g/mol
LogP2.53
Rot. Bonds3

About 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide

2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 129329247) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID129329247
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H17F3N4O/c1-9-11(4-5-19-9)14(23)20-6-10-2-3-13-21-12(15(16,17)18)8-22(13)7-10/h4-5,8,10,19H,2-3,6-7H2,1H3,(H,20,23)/t10-/m0/s1
InChIKeyDUQCMPMRNLWIAG-JTQLQIEISA-N
XLogP2.53
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

2-oxo-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyridine-3-carboxamide
CID 129332825
2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
CID 129329094
5-propyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129006376
6-methyl-2-oxo-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrimidine-4-carboxamide
CID 129329620
3,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-4-carboxamide
CID 129329002
1-methyl-6-oxo-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridazine-3-carboxamide
CID 129330547
6-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 129339897
5-ethyl-4-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2-carboxamide
CID 129328959
2-(1-methylpyrazol-4-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 124737660
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129004435
2-(1H-pyrazol-5-yl)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129342084
5-ethyl-3-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-4-carboxamide
CID 129341502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide (CID 129329247) is 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is DUQCMPMRNLWIAG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9-11(4-5-19-9)14(23)20-6-10-2-3-13-21-12(15(16,17)18)8-22(13)7-10/h4-5,8,10,19H,2-3,6-7H2,1H3,(H,20,23)/t10-/m0/s1.
What are the key properties of 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 129329247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).