(2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide

C24H23ClFN5O3 — CID 169171816

IUPAC(2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)C[C@@H](C#Cc1cnccn1)NC(=O)[C@@H]1CC(F)CN1C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H23ClFN5O3/c25-16-3-1-15(2-4-16)24(7-8-24)23(34)31-14-17(26)11-20(31)22(33)30-18(12-21(27)32)5-6-19-13-28-9-10-29-19/h1-4,9-10,13,17-18,20H,7-8,11-12,14H2,(H2,27,32)(H,30,33)/t17?,18-,20+/m1/s1
InChIKeyZGFDTOKYYNSMON-FLXSOZOKSA-N
MW483.93 g/mol
LogP1.51
Rot. Bonds6

About (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide

(2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 169171816) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID169171816
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC Name(2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)C[C@@H](C#Cc1cnccn1)NC(=O)[C@@H]1CC(F)CN1C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H23ClFN5O3/c25-16-3-1-15(2-4-16)24(7-8-24)23(34)31-14-17(26)11-20(31)22(33)30-18(12-21(27)32)5-6-19-13-28-9-10-29-19/h1-4,9-10,13,17-18,20H,7-8,11-12,14H2,(H2,27,32)(H,30,33)/t17?,18-,20+/m1/s1
InChIKeyZGFDTOKYYNSMON-FLXSOZOKSA-N
XLogP1.51
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-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 (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide (CID 169171816) is (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide is NC(=O)C[C@@H](C#Cc1cnccn1)NC(=O)[C@@H]1CC(F)CN1C(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is ZGFDTOKYYNSMON-FLXSOZOKSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c25-16-3-1-15(2-4-16)24(7-8-24)23(34)31-14-17(26)11-20(31)22(33)30-18(12-21(27)32)5-6-19-13-28-9-10-29-19/h1-4,9-10,13,17-18,20H,7-8,11-12,14H2,(H2,27,32)(H,30,33)/t17?,18-,20+/m1/s1.
What are the key properties of (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide?
(2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 483.93 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-5-amino-5-oxo-1-pyrazin-2-ylpent-1-yn-3-yl]-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 169171816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).