(2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide

C24H20F3N3O3 — CID 118414053

IUPAC(2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide
SMILESNC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)17-7-4-14(5-8-17)13-30-11-10-16-12-15(6-9-20(16)30)18-2-1-3-19(29-18)21(31)22(32)23(28)33/h1-12,21-22,31-32H,13H2,(H2,28,33)/t21-,22+/m0/s1
InChIKeyPHVCEJBGIOSHKI-FCHUYYIVSA-N
MW455.44 g/mol
LogP3.65
Rot. Bonds6

About (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide

(2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide (PubChem CID 118414053) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide
PubChem CID118414053
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name(2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide
SMILESNC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)17-7-4-14(5-8-17)13-30-11-10-16-12-15(6-9-20(16)30)18-2-1-3-19(29-18)21(31)22(32)23(28)33/h1-12,21-22,31-32H,13H2,(H2,28,33)/t21-,22+/m0/s1
InChIKeyPHVCEJBGIOSHKI-FCHUYYIVSA-N
XLogP3.65
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide 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 (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide?
The IUPAC name of (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide (CID 118414053) is (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide is NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide?
The InChIKey is PHVCEJBGIOSHKI-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c25-24(26,27)17-7-4-14(5-8-17)13-30-11-10-16-12-15(6-9-20(16)30)18-2-1-3-19(29-18)21(31)22(32)23(28)33/h1-12,21-22,31-32H,13H2,(H2,28,33)/t21-,22+/m0/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide?
(2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide has a molecular weight of 455.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-3-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 118414053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).