1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone

C17H18F3N3O — CID 138559827

IUPAC1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
SMILESCC(=O)N1C[C@H]2CC(c3cc(C(F)(F)F)cn4cncc34)C[C@H]2C1
InChIInChI=1S/C17H18F3N3O/c1-10(24)22-6-12-2-11(3-13(12)7-22)15-4-14(17(18,19)20)8-23-9-21-5-16(15)23/h4-5,8-9,11-13H,2-3,6-7H2,1H3/t11?,12-,13+
InChIKeyIDYPMHBCNIIOQR-YHWZYXNKSA-N
MW337.35 g/mol
LogP3.33
Rot. Bonds1

About 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone

1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone (PubChem CID 138559827) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
PubChem CID138559827
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
SMILESCC(=O)N1C[C@H]2CC(c3cc(C(F)(F)F)cn4cncc34)C[C@H]2C1
InChIInChI=1S/C17H18F3N3O/c1-10(24)22-6-12-2-11(3-13(12)7-22)15-4-14(17(18,19)20)8-23-9-21-5-16(15)23/h4-5,8-9,11-13H,2-3,6-7H2,1H3/t11?,12-,13+
InChIKeyIDYPMHBCNIIOQR-YHWZYXNKSA-N
XLogP3.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone (CID 138559827) is 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone is CC(=O)N1C[C@H]2CC(c3cc(C(F)(F)F)cn4cncc34)C[C@H]2C1.
What is the InChIKey of 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
The InChIKey is IDYPMHBCNIIOQR-YHWZYXNKSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-10(24)22-6-12-2-11(3-13(12)7-22)15-4-14(17(18,19)20)8-23-9-21-5-16(15)23/h4-5,8-9,11-13H,2-3,6-7H2,1H3/t11?,12-,13+.
What are the key properties of 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone?
1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone has a molecular weight of 337.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aS)-5-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone is sourced from PubChem (CID 138559827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).