(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

C18H19F3N2O2 — CID 75536114

IUPAC(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2cccnc2)C[C@H]1O
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-1-3-11(7-13)9-23-16-14(8-15(24)17(16)25)12-4-2-6-22-10-12/h1-7,10,14-17,23-25H,8-9H2/t14-,15-,16-,17-/m1/s1
InChIKeyGNMIALIRLDMPRE-QBPKDAKJSA-N
MW352.36 g/mol
LogP2.47
Rot. Bonds4

About (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (PubChem CID 75536114) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
PubChem CID75536114
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2cccnc2)C[C@H]1O
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-1-3-11(7-13)9-23-16-14(8-15(24)17(16)25)12-4-2-6-22-10-12/h1-7,10,14-17,23-25H,8-9H2/t14-,15-,16-,17-/m1/s1
InChIKeyGNMIALIRLDMPRE-QBPKDAKJSA-N
XLogP2.47
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol with MolForge

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Related Compounds

CID 75536128
CID 75536128
CID 71693792
CID 71693792
CID 71693978
CID 71693978
CID 71693984
CID 71693984
CID 75536081
CID 75536081
CID 75536119
CID 75536119
CID 75536073
CID 75536073
CID 71694050
CID 71694050
CID 71694059
CID 71694059
CID 71693764
CID 71693764
CID 71693798
CID 71693798
CID 71693840
CID 71693840

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (CID 75536114) is (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is O[C@H]1[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2cccnc2)C[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The InChIKey is GNMIALIRLDMPRE-QBPKDAKJSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-1-3-11(7-13)9-23-16-14(8-15(24)17(16)25)12-4-2-6-22-10-12/h1-7,10,14-17,23-25H,8-9H2/t14-,15-,16-,17-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol has a molecular weight of 352.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is sourced from PubChem (CID 75536114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).