(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H19F3N4O2 — CID 139459325

IUPAC(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CNC[C@@H]21)c1ncc2c(OC(F)(F)F)cccn12
InChIInChI=1S/C17H19F3N4O2/c1-16(2,23-14(25)13-9-6-21-7-10(9)13)15-22-8-11-12(26-17(18,19)20)4-3-5-24(11)15/h3-5,8-10,13,21H,6-7H2,1-2H3,(H,23,25)/t9-,10?,13?/m0/s1
InChIKeyFXPCDLZHUXTNEN-JBLZRFIASA-N
MW368.36 g/mol
LogP2.05
Rot. Bonds4

About (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 139459325) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID139459325
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CNC[C@@H]21)c1ncc2c(OC(F)(F)F)cccn12
InChIInChI=1S/C17H19F3N4O2/c1-16(2,23-14(25)13-9-6-21-7-10(9)13)15-22-8-11-12(26-17(18,19)20)4-3-5-24(11)15/h3-5,8-10,13,21H,6-7H2,1-2H3,(H,23,25)/t9-,10?,13?/m0/s1
InChIKeyFXPCDLZHUXTNEN-JBLZRFIASA-N
XLogP2.05
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 139459325) is (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1C2CNC[C@@H]21)c1ncc2c(OC(F)(F)F)cccn12.
What is the InChIKey of (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FXPCDLZHUXTNEN-JBLZRFIASA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-16(2,23-14(25)13-9-6-21-7-10(9)13)15-22-8-11-12(26-17(18,19)20)4-3-5-24(11)15/h3-5,8-10,13,21H,6-7H2,1-2H3,(H,23,25)/t9-,10?,13?/m0/s1.
What are the key properties of (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 139459325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).