[6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol

C24H23F4N5O2 — CID 123463393

IUPAC[6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)N2CC3CCC2C(Oc2ncc(C(F)(F)F)cc2F)C3)c(-c2ncccn2)n1
InChIInChI=1S/C24H23F4N5O2/c1-13-3-5-16(20(32-13)21-29-7-2-8-30-21)23(34)33-12-14-4-6-18(33)19(9-14)35-22-17(25)10-15(11-31-22)24(26,27)28/h2-3,5,7-8,10-11,14,18-19,23,34H,4,6,9,12H2,1H3
InChIKeyRSOCHASCSAHRHW-UHFFFAOYSA-N
MW489.47 g/mol
LogP4.32
Rot. Bonds5

About [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol

[6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol (PubChem CID 123463393) has the molecular formula C24H23F4N5O2 and a molecular weight of 489.47 g/mol. Its IUPAC name is [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name[6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol
PubChem CID123463393
Molecular FormulaC24H23F4N5O2
Molecular Weight489.47 g/mol
Exact Mass489.18
IUPAC Name[6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)N2CC3CCC2C(Oc2ncc(C(F)(F)F)cc2F)C3)c(-c2ncccn2)n1
InChIInChI=1S/C24H23F4N5O2/c1-13-3-5-16(20(32-13)21-29-7-2-8-30-21)23(34)33-12-14-4-6-18(33)19(9-14)35-22-17(25)10-15(11-31-22)24(26,27)28/h2-3,5,7-8,10-11,14,18-19,23,34H,4,6,9,12H2,1H3
InChIKeyRSOCHASCSAHRHW-UHFFFAOYSA-N
XLogP4.32
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol 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

2,2,2-trifluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283269
2,2-difluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283764
2,2,2-trifluoro-1-(5-(2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidin-5-yl)pyridin-2-yl)ethanol
CID 90182140
2-(5-(4-(((1S,2S)-2-(5-fluoropyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)propan-2-ol
CID 90182165
2-(5-(2-methyl-4-(((1S,2S)-2-(5-(trifluoromethyl)pyridin-2-yl)cyclopropyl)methoxy) pyrimidin-5-yl)pyridin-2-yl)propan-2-ol
CID 90182177
US9611277, Example 264
CID 117637494
US9611277, Example 283
CID 117637576
US9611277, Example 265
CID 117637645
US9611262, Example 158
CID 118940701
US9611262, Example 161
CID 118940702
US9611262, Example 74
CID 126762404
1-[6-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-ol
CID 139390011

Frequently Asked Questions

What is the IUPAC name of [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol?
The IUPAC name of [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol (CID 123463393) is [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol.
What is the SMILES notation for [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol?
The canonical SMILES for [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol is Cc1ccc(C(O)N2CC3CCC2C(Oc2ncc(C(F)(F)F)cc2F)C3)c(-c2ncccn2)n1.
What is the InChIKey of [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol?
The InChIKey is RSOCHASCSAHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O2/c1-13-3-5-16(20(32-13)21-29-7-2-8-30-21)23(34)33-12-14-4-6-18(33)19(9-14)35-22-17(25)10-15(11-31-22)24(26,27)28/h2-3,5,7-8,10-11,14,18-19,23,34H,4,6,9,12H2,1H3.
What are the key properties of [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol?
[6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol has a molecular weight of 489.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(6-methyl-2-pyrimidin-2-yl-3-pyridinyl)methanol is sourced from PubChem (CID 123463393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).