[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

C16H23F3N4O — CID 138030966

IUPAC[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESCC(C)[C@H]1CN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)CCN1
InChIInChI=1S/C16H23F3N4O/c1-10(2)11-9-22(8-6-20-11)14(24)13-12-5-3-4-7-23(12)15(21-13)16(17,18)19/h10-11,20H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyCSBGAGJUFHOALB-LLVKDONJSA-N
MW344.38 g/mol
LogP2.31
Rot. Bonds2

About [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 138030966) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID138030966
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESCC(C)[C@H]1CN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)CCN1
InChIInChI=1S/C16H23F3N4O/c1-10(2)11-9-22(8-6-20-11)14(24)13-12-5-3-4-7-23(12)15(21-13)16(17,18)19/h10-11,20H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyCSBGAGJUFHOALB-LLVKDONJSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (CID 138030966) is [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is CC(C)[C@H]1CN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)CCN1.
What is the InChIKey of [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is CSBGAGJUFHOALB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-10(2)11-9-22(8-6-20-11)14(24)13-12-5-3-4-7-23(12)15(21-13)16(17,18)19/h10-11,20H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 344.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 138030966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).