(2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide

C30H25F4N5O4S — CID 71599642

IUPAC(2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(-c2ccc3nc(Nc4ccc(S(C)(=O)=O)cc4OCC(F)(F)F)nn3c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C30H25F4N5O4S/c1-18(19-3-8-22(31)9-4-19)28(40)35-23-10-5-20(6-11-23)21-7-14-27-37-29(38-39(27)16-21)36-25-13-12-24(44(2,41)42)15-26(25)43-17-30(32,33)34/h3-16,18H,17H2,1-2H3,(H,35,40)(H,36,38)/t18-/m1/s1
InChIKeyVYJXPBPEYOOMNE-GOSISDBHSA-N
MW627.62 g/mol
LogP6.37
Rot. Bonds9

About (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide

(2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide (PubChem CID 71599642) has the molecular formula C30H25F4N5O4S and a molecular weight of 627.62 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
PubChem CID71599642
Molecular FormulaC30H25F4N5O4S
Molecular Weight627.62 g/mol
Exact Mass627.16
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(-c2ccc3nc(Nc4ccc(S(C)(=O)=O)cc4OCC(F)(F)F)nn3c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C30H25F4N5O4S/c1-18(19-3-8-22(31)9-4-19)28(40)35-23-10-5-20(6-11-23)21-7-14-27-37-29(38-39(27)16-21)36-25-13-12-24(44(2,41)42)15-26(25)43-17-30(32,33)34/h3-16,18H,17H2,1-2H3,(H,35,40)(H,36,38)/t18-/m1/s1
InChIKeyVYJXPBPEYOOMNE-GOSISDBHSA-N
XLogP6.37
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.62
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide (CID 71599642) is (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide is C[C@@H](C(=O)Nc1ccc(-c2ccc3nc(Nc4ccc(S(C)(=O)=O)cc4OCC(F)(F)F)nn3c2)cc1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
The InChIKey is VYJXPBPEYOOMNE-GOSISDBHSA-N. The full InChI is InChI=1S/C30H25F4N5O4S/c1-18(19-3-8-22(31)9-4-19)28(40)35-23-10-5-20(6-11-23)21-7-14-27-37-29(38-39(27)16-21)36-25-13-12-24(44(2,41)42)15-26(25)43-17-30(32,33)34/h3-16,18H,17H2,1-2H3,(H,35,40)(H,36,38)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
(2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide has a molecular weight of 627.62 g/mol, XLogP of 6.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[4-[2-[4-methylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide is sourced from PubChem (CID 71599642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).