2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide

C15H18F3N5O — CID 129002362

IUPAC2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCn1ccc(CC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C15H18F3N5O/c1-22-5-4-11(21-22)6-14(24)19-7-10-2-3-13-20-12(15(16,17)18)9-23(13)8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,19,24)
InChIKeyVPHMYBCMQSRYSA-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.56
Rot. Bonds4

About 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide

2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (PubChem CID 129002362) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
PubChem CID129002362
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
SMILESCn1ccc(CC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C15H18F3N5O/c1-22-5-4-11(21-22)6-14(24)19-7-10-2-3-13-20-12(15(16,17)18)9-23(13)8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,19,24)
InChIKeyVPHMYBCMQSRYSA-UHFFFAOYSA-N
XLogP1.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide (CID 129002362) is 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is Cn1ccc(CC(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
The InChIKey is VPHMYBCMQSRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22-5-4-11(21-22)6-14(24)19-7-10-2-3-13-20-12(15(16,17)18)9-23(13)8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,19,24).
What are the key properties of 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide?
2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide is sourced from PubChem (CID 129002362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).