2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid

C18H22F3N3O3 — CID 167146015

IUPAC2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
SMILESCOc1c(N2CC3C(CC(=O)O)C3C2)cc(C(F)(F)F)nc1N1CCC1C
InChIInChI=1S/C18H22F3N3O3/c1-9-3-4-24(9)17-16(27-2)13(6-14(22-17)18(19,20)21)23-7-11-10(5-15(25)26)12(11)8-23/h6,9-12H,3-5,7-8H2,1-2H3,(H,25,26)
InChIKeyNFBYIFMPCZJQKM-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.86
Rot. Bonds5

About 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid

2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid (PubChem CID 167146015) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
PubChem CID167146015
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
SMILESCOc1c(N2CC3C(CC(=O)O)C3C2)cc(C(F)(F)F)nc1N1CCC1C
InChIInChI=1S/C18H22F3N3O3/c1-9-3-4-24(9)17-16(27-2)13(6-14(22-17)18(19,20)21)23-7-11-10(5-15(25)26)12(11)8-23/h6,9-12H,3-5,7-8H2,1-2H3,(H,25,26)
InChIKeyNFBYIFMPCZJQKM-UHFFFAOYSA-N
XLogP2.86
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,5R)-3-[6-[(2S)-2-methylazetidin-1-yl]-2-(trifluoromethoxy)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 170939512
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435462
2-[(1R,5S)-3-[2-methyl-6-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 174197461
2-[3-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 142773171
2-[(1S,5R)-3-[5-(4-fluorophenyl)-2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 175435431
2-[(1R,5S)-3-[2-[(2R)-2-ethynylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 130204499
2-[(1R,5S)-3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 129278758
methyl 2-[(1S,5R)-3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetate
CID 156529504
methyl 2-[(1S,5R)-3-[6-(trifluoromethyl)-2-[2-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 175435455
2-[(1S,5R)-3-[5-ethynyl-6-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid
CID 167408896
methyl 2-[(1S,5R)-3-[2-[2-(difluoromethyl)azetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 175435492
2-[3-[5-cyano-4-(difluoromethyl)-6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 142773187

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
The IUPAC name of 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid (CID 167146015) is 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
The canonical SMILES for 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid is COc1c(N2CC3C(CC(=O)O)C3C2)cc(C(F)(F)F)nc1N1CCC1C.
What is the InChIKey of 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
The InChIKey is NFBYIFMPCZJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-9-3-4-24(9)17-16(27-2)13(6-14(22-17)18(19,20)21)23-7-11-10(5-15(25)26)12(11)8-23/h6,9-12H,3-5,7-8H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid has a molecular weight of 385.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-methoxy-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid is sourced from PubChem (CID 167146015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).