(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H22F3N5O2 — CID 118939515

IUPAC(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2C(C)C3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)n1
InChIInChI=1S/C24H22F3N5O2/c1-13-4-6-17(22-28-8-3-9-29-22)21(31-13)23(33)32-14(2)15-10-18(32)19(11-15)34-20-7-5-16(12-30-20)24(25,26)27/h3-9,12,14-15,18-19H,10-11H2,1-2H3
InChIKeyRLJYCBIFGOWOJP-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.33
Rot. Bonds4

About (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118939515) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID118939515
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2C(C)C3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)n1
InChIInChI=1S/C24H22F3N5O2/c1-13-4-6-17(22-28-8-3-9-29-22)21(31-13)23(33)32-14(2)15-10-18(32)19(11-15)34-20-7-5-16(12-30-20)24(25,26)27/h3-9,12,14-15,18-19H,10-11H2,1-2H3
InChIKeyRLJYCBIFGOWOJP-UHFFFAOYSA-N
XLogP4.33
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

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CID 25126515
Jnj-61393215
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(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411327
(R/S)-(3-fluoro-2-(pyrimidin-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
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CID 59396042
5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)picolinamide
CID 76282779
4-[2-Morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine
CID 45487716
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 56653271
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 56653621
2-(2-{[(2R,5R)-5-{[4-(2,2-difluoroethoxy)pyridin-2-yl]oxy}-2-methylpiperidin-1-yl]carbonyl}phenyl) pyrimidine
CID 78324986
2-(2-{[(2R,5R)-5-{[4-(2,2-difluoroethoxy)pyridin-2-yl]oxy}-2-methylpiperidin-1-yl]carbonyl}pyridin-3-yl)pyrimidine
CID 78325012
(2-Methoxy-6-pyrimidin-2-ylphenyl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86270576

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118939515) is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2C(C)C3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)n1.
What is the InChIKey of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is RLJYCBIFGOWOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-13-4-6-17(22-28-8-3-9-29-22)21(31-13)23(33)32-14(2)15-10-18(32)19(11-15)34-20-7-5-16(12-30-20)24(25,26)27/h3-9,12,14-15,18-19H,10-11H2,1-2H3.
What are the key properties of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 469.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118939515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).