(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide

About (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 165139002) has the molecular formula C25H27F2N5O4 and a molecular weight of 499.52 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID	165139002
Molecular Formula	C25H27F2N5O4
Molecular Weight	499.52 g/mol
Exact Mass	499.20
IUPAC Name	(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILES	CC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cc2noc(=O)n2C)c2ccccc2)nc1F
InChI	InChI=1S/C25H27F2N5O4/c1-14(2)17-9-10-18(28-23(17)27)22(15-7-5-4-6-8-15)29-24(34)19-11-16(26)13-32(19)21(33)12-20-30-36-25(35)31(20)3/h4-10,14,16,19,22H,11-13H2,1-3H3,(H,29,34)/t16-,19+,22+/m1/s1
InChIKey	UYIJYFUYVHFSHY-WVBUVRCRSA-N
XLogP	2.42
TPSA	110.33 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.52
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 165139002) is (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide is CC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cc2noc(=O)n2C)c2ccccc2)nc1F.

What is the InChIKey of (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide?

The InChIKey is UYIJYFUYVHFSHY-WVBUVRCRSA-N. The full InChI is InChI=1S/C25H27F2N5O4/c1-14(2)17-9-10-18(28-23(17)27)22(15-7-5-4-6-8-15)29-24(34)19-11-16(26)13-32(19)21(33)12-20-30-36-25(35)31(20)3/h4-10,14,16,19,22H,11-13H2,1-3H3,(H,29,34)/t16-,19+,22+/m1/s1.

What are the key properties of (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide?

(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165139002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).