N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

C20H21FN4O3 — CID 71526222

IUPACN-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-14-7-5-12(6-8-14)16(18(22)26)25-19(27)15-9-23-17(13-3-4-13)20(24-15)28-10-11-1-2-11/h5-9,11,13,16H,1-4,10H2,(H2,22,26)(H,25,27)/t16-/m0/s1
InChIKeyLSSURWFTLSWIDD-INIZCTEOSA-N
MW384.41 g/mol
LogP2.24
Rot. Bonds8

About N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide

N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (PubChem CID 71526222) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
PubChem CID71526222
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-14-7-5-12(6-8-14)16(18(22)26)25-19(27)15-9-23-17(13-3-4-13)20(24-15)28-10-11-1-2-11/h5-9,11,13,16H,1-4,10H2,(H2,22,26)(H,25,27)/t16-/m0/s1
InChIKeyLSSURWFTLSWIDD-INIZCTEOSA-N
XLogP2.24
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide 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 N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide (CID 71526222) is N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is NC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
The InChIKey is LSSURWFTLSWIDD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-14-7-5-12(6-8-14)16(18(22)26)25-19(27)15-9-23-17(13-3-4-13)20(24-15)28-10-11-1-2-11/h5-9,11,13,16H,1-4,10H2,(H2,22,26)(H,25,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide?
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 71526222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).