(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol

C20H22FN5O2 — CID 75529396

IUPAC(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESO[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C20H22FN5O2/c21-16-5-3-13(4-6-16)9-23-17-8-15(19(27)20(17)28)11-26-12-18(24-25-26)14-2-1-7-22-10-14/h1-7,10,12,15,17,19-20,23,27-28H,8-9,11H2/t15-,17-,19-,20+/m1/s1
InChIKeyDKCWCWCABWYXGA-QOJCHSLYSA-N
MW383.43 g/mol
LogP1.38
Rot. Bonds6

About (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (PubChem CID 75529396) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
PubChem CID75529396
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESO[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C20H22FN5O2/c21-16-5-3-13(4-6-16)9-23-17-8-15(19(27)20(17)28)11-26-12-18(24-25-26)14-2-1-7-22-10-14/h1-7,10,12,15,17,19-20,23,27-28H,8-9,11H2/t15-,17-,19-,20+/m1/s1
InChIKeyDKCWCWCABWYXGA-QOJCHSLYSA-N
XLogP1.38
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (CID 75529396) is (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is O[C@@H]1[C@@H](Cn2cc(-c3cccnc3)nn2)C[C@@H](NCc2ccc(F)cc2)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The InChIKey is DKCWCWCABWYXGA-QOJCHSLYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-16-5-3-13(4-6-16)9-23-17-8-15(19(27)20(17)28)11-26-12-18(24-25-26)14-2-1-7-22-10-14/h1-7,10,12,15,17,19-20,23,27-28H,8-9,11H2/t15-,17-,19-,20+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol has a molecular weight of 383.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75529396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).