(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C20H19ClF3N3O2 — CID 70213191

IUPAC(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(Cl)c(C(=O)N2CC3C[C@@H]3C[C@H]2COc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C20H19ClF3N3O2/c1-11-2-4-16(21)18(26-11)19(28)27-9-13-6-12(13)7-15(27)10-29-17-5-3-14(8-25-17)20(22,23)24/h2-5,8,12-13,15H,6-7,9-10H2,1H3/t12-,13?,15+/m1/s1
InChIKeyRQQWDOLRMYDTIM-JHIQODARSA-N
MW425.84 g/mol
LogP4.39
Rot. Bonds4

About (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 70213191) has the molecular formula C20H19ClF3N3O2 and a molecular weight of 425.84 g/mol. Its IUPAC name is (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
PubChem CID70213191
Molecular FormulaC20H19ClF3N3O2
Molecular Weight425.84 g/mol
Exact Mass425.11
IUPAC Name(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(Cl)c(C(=O)N2CC3C[C@@H]3C[C@H]2COc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C20H19ClF3N3O2/c1-11-2-4-16(21)18(26-11)19(28)27-9-13-6-12(13)7-15(27)10-29-17-5-3-14(8-25-17)20(22,23)24/h2-5,8,12-13,15H,6-7,9-10H2,1H3/t12-,13?,15+/m1/s1
InChIKeyRQQWDOLRMYDTIM-JHIQODARSA-N
XLogP4.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone 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

[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 162542859
6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile
CID 163877793
[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46219305
[6-methyl-3-(5-methylpyrimidin-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 59363724
[4-[(4,6-dichloro-2-pyridinyl)oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 75281751
(3-pyrimidin-2-yl-2-pyridinyl)-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 75282278
(3-ethoxy-6-methyl-2-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86270574
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 57414484
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R,4R,6R)-4-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 57414754
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 175952233
[(2S,5S)-2-[[2-chloro-4-(trifluoromethyl)-3-pyridinyl]oxymethyl]-5-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 51001106
[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118891980

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The IUPAC name of (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 70213191) is (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.
What is the SMILES notation for (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The canonical SMILES for (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is Cc1ccc(Cl)c(C(=O)N2CC3C[C@@H]3C[C@H]2COc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The InChIKey is RQQWDOLRMYDTIM-JHIQODARSA-N. The full InChI is InChI=1S/C20H19ClF3N3O2/c1-11-2-4-16(21)18(26-11)19(28)27-9-13-6-12(13)7-15(27)10-29-17-5-3-14(8-25-17)20(22,23)24/h2-5,8,12-13,15H,6-7,9-10H2,1H3/t12-,13?,15+/m1/s1.
What are the key properties of (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 425.84 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 70213191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).