(R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol

C25H30F3N3O — CID 157026130

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol
SMILESCN1CC(C)([C@](O)(c2ccc(C3(C(F)(F)F)CC3)cc2)c2cncc(N3CCCC3)c2)C1
InChIInChI=1S/C25H30F3N3O/c1-22(16-30(2)17-22)24(32,20-13-21(15-29-14-20)31-11-3-4-12-31)19-7-5-18(6-8-19)23(9-10-23)25(26,27)28/h5-8,13-15,32H,3-4,9-12,16-17H2,1-2H3/t24-/m0/s1
InChIKeyMSJOFVYJQWFCDL-DEOSSOPVSA-N
MW445.53 g/mol
LogP4.46
Rot. Bonds5

About (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol

(R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol (PubChem CID 157026130) has the molecular formula C25H30F3N3O and a molecular weight of 445.53 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol
PubChem CID157026130
Molecular FormulaC25H30F3N3O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol
SMILESCN1CC(C)([C@](O)(c2ccc(C3(C(F)(F)F)CC3)cc2)c2cncc(N3CCCC3)c2)C1
InChIInChI=1S/C25H30F3N3O/c1-22(16-30(2)17-22)24(32,20-13-21(15-29-14-20)31-11-3-4-12-31)19-7-5-18(6-8-19)23(9-10-23)25(26,27)28/h5-8,13-15,32H,3-4,9-12,16-17H2,1-2H3/t24-/m0/s1
InChIKeyMSJOFVYJQWFCDL-DEOSSOPVSA-N
XLogP4.46
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol with MolForge

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Related Compounds

(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-(trifluoromethyl)phenyl]methanol
CID 175382791
(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
CID 157026032
1-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]piperidin-3-ol
CID 157025946
(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol
CID 166525275
1-[(3S)-1-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 175382622
tert-butyl 3-[(R)-hydroxy-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-3-methylazetidine-1-carboxylate
CID 157025931
(1,3-dimethylazetidin-3-yl)-(5-pyrazol-1-yl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 157026118
3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1-oxa-3-azaspiro[4.4]nonan-2-one
CID 157025823
(R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
CID 157026271
(R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026295
4-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]but-3-yn-1-ol
CID 175382685
1-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 157026286

Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol (CID 157026130) is (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol is CN1CC(C)([C@](O)(c2ccc(C3(C(F)(F)F)CC3)cc2)c2cncc(N3CCCC3)c2)C1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol?
The InChIKey is MSJOFVYJQWFCDL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H30F3N3O/c1-22(16-30(2)17-22)24(32,20-13-21(15-29-14-20)31-11-3-4-12-31)19-7-5-18(6-8-19)23(9-10-23)25(26,27)28/h5-8,13-15,32H,3-4,9-12,16-17H2,1-2H3/t24-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol?
(R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol has a molecular weight of 445.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol is sourced from PubChem (CID 157026130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).