N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide

C23H23F2N5O3 — CID 67317864

IUPACN-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H23F2N5O3/c1-14(26-2)22(32)29-21-23(33)30(19(12-28-21)16-5-9-18(25)10-6-16)13-20(31)27-11-15-3-7-17(24)8-4-15/h3-10,12,14,26H,11,13H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyQHDDRWXMLJQVPV-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.05
Rot. Bonds8

About N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide

N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide (PubChem CID 67317864) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
PubChem CID67317864
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC NameN-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C23H23F2N5O3/c1-14(26-2)22(32)29-21-23(33)30(19(12-28-21)16-5-9-18(25)10-6-16)13-20(31)27-11-15-3-7-17(24)8-4-15/h3-10,12,14,26H,11,13H2,1-2H3,(H,27,31)(H,28,29,32)
InChIKeyQHDDRWXMLJQVPV-UHFFFAOYSA-N
XLogP2.05
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide (CID 67317864) is N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(F)cc2)c1=O.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide?
The InChIKey is QHDDRWXMLJQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-14(26-2)22(32)29-21-23(33)30(19(12-28-21)16-5-9-18(25)10-6-16)13-20(31)27-11-15-3-7-17(24)8-4-15/h3-10,12,14,26H,11,13H2,1-2H3,(H,27,31)(H,28,29,32).
What are the key properties of N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide?
N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide has a molecular weight of 455.47 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 67317864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).