5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

C22H31FN6O2 — CID 176560356

IUPAC5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1ncc(C(C)CC(C)N2CCN(c3ccc(C(=O)NC)nc3F)CC2)[nH]c1=O
InChIInChI=1S/C22H31FN6O2/c1-5-16-22(31)27-18(13-25-16)14(2)12-15(3)28-8-10-29(11-9-28)19-7-6-17(21(30)24-4)26-20(19)23/h6-7,13-15H,5,8-12H2,1-4H3,(H,24,30)(H,27,31)
InChIKeyYNARUNLUAPEUNP-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.93
Rot. Bonds7

About 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide

5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 176560356) has the molecular formula C22H31FN6O2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID176560356
Molecular FormulaC22H31FN6O2
Molecular Weight430.53 g/mol
Exact Mass430.25
IUPAC Name5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1ncc(C(C)CC(C)N2CCN(c3ccc(C(=O)NC)nc3F)CC2)[nH]c1=O
InChIInChI=1S/C22H31FN6O2/c1-5-16-22(31)27-18(13-25-16)14(2)12-15(3)28-8-10-29(11-9-28)19-7-6-17(21(30)24-4)26-20(19)23/h6-7,13-15H,5,8-12H2,1-4H3,(H,24,30)(H,27,31)
InChIKeyYNARUNLUAPEUNP-UHFFFAOYSA-N
XLogP1.93
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[1-(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110755
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-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586983
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-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 171812238
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-[1-(5,8-difluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)ethyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110461
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
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-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560493
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
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 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) is 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is CCc1ncc(C(C)CC(C)N2CCN(c3ccc(C(=O)NC)nc3F)CC2)[nH]c1=O.
What is the InChIKey of 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is YNARUNLUAPEUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN6O2/c1-5-16-22(31)27-18(13-25-16)14(2)12-15(3)28-8-10-29(11-9-28)19-7-6-17(21(30)24-4)26-20(19)23/h6-7,13-15H,5,8-12H2,1-4H3,(H,24,30)(H,27,31).
What are the key properties of 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).