5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide

C22H27FN6O2 — CID 176560493

IUPAC5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESCCc1ncc(C23CCC(N4CCN(c5ccc(C(N)=O)nc5F)CC4)C2C3)[nH]c1=O
InChIInChI=1S/C22H27FN6O2/c1-2-14-21(31)27-18(12-25-14)22-6-5-16(13(22)11-22)28-7-9-29(10-8-28)17-4-3-15(20(24)30)26-19(17)23/h3-4,12-13,16H,2,5-11H2,1H3,(H2,24,30)(H,27,31)
InChIKeyTZJYCIQKIJLSIY-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.21
Rot. Bonds5

About 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide

5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 176560493) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
PubChem CID176560493
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Name5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESCCc1ncc(C23CCC(N4CCN(c5ccc(C(N)=O)nc5F)CC4)C2C3)[nH]c1=O
InChIInChI=1S/C22H27FN6O2/c1-2-14-21(31)27-18(12-25-14)22-6-5-16(13(22)11-22)28-7-9-29(10-8-28)17-4-3-15(20(24)30)26-19(17)23/h3-4,12-13,16H,2,5-11H2,1H3,(H2,24,30)(H,27,31)
InChIKeyTZJYCIQKIJLSIY-UHFFFAOYSA-N
XLogP1.21
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-[5-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560737
5-[4-[5-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560400
5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560356
5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560632
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575
5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560622
N-cyclopropyl-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169110858
5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 178131767
5-[4-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586983
N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560384
5-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxamide
CID 178131699
5-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-(3-fluoroazetidin-1-yl)pyridine-2-carboxamide
CID 178131954

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide (CID 176560493) is 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide is CCc1ncc(C23CCC(N4CCN(c5ccc(C(N)=O)nc5F)CC4)C2C3)[nH]c1=O.
What is the InChIKey of 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The InChIKey is TZJYCIQKIJLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O2/c1-2-14-21(31)27-18(12-25-14)22-6-5-16(13(22)11-22)28-7-9-29(10-8-28)17-4-3-15(20(24)30)26-19(17)23/h3-4,12-13,16H,2,5-11H2,1H3,(H2,24,30)(H,27,31).
What are the key properties of 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 176560493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).