N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C23H24F2N6O2 — CID 169110805

IUPACN-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C23H24F2N6O2/c1-13-22(32)29-20-16(26-13)5-2-14(19(20)24)12-30-8-10-31(11-9-30)18-7-6-17(28-21(18)25)23(33)27-15-3-4-15/h2,5-7,15H,3-4,8-12H2,1H3,(H,27,33)(H,29,32)
InChIKeyOAUXHICJLNIEOX-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.12
Rot. Bonds5

About N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 169110805) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID169110805
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC NameN-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C23H24F2N6O2/c1-13-22(32)29-20-16(26-13)5-2-14(19(20)24)12-30-8-10-31(11-9-30)18-7-6-17(28-21(18)25)23(33)27-15-3-4-15/h2,5-7,15H,3-4,8-12H2,1H3,(H,27,33)(H,29,32)
InChIKeyOAUXHICJLNIEOX-UHFFFAOYSA-N
XLogP2.12
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 169110805) is N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is Cc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CC5)nc4F)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is OAUXHICJLNIEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-13-22(32)29-20-16(26-13)5-2-14(19(20)24)12-30-8-10-31(11-9-30)18-7-6-17(28-21(18)25)23(33)27-15-3-4-15/h2,5-7,15H,3-4,8-12H2,1H3,(H,27,33)(H,29,32).
What are the key properties of N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169110805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).