6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

C24H22FN5O2 — CID 171776710

IUPAC6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3)[nH]c(=O)c3cccn34)CC2)c(F)n1
InChIInChI=1S/C24H22FN5O2/c1-26-23(31)18-6-5-17(22(25)27-18)16-8-11-29(12-9-16)14-15-4-7-20-19(13-15)28-24(32)21-3-2-10-30(20)21/h2-8,10,13H,9,11-12,14H2,1H3,(H,26,31)(H,28,32)
InChIKeyIIMPPFHUKOQLGL-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.96
Rot. Bonds4

About 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (PubChem CID 171776710) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
PubChem CID171776710
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3)[nH]c(=O)c3cccn34)CC2)c(F)n1
InChIInChI=1S/C24H22FN5O2/c1-26-23(31)18-6-5-17(22(25)27-18)16-8-11-29(12-9-16)14-15-4-7-20-19(13-15)28-24(32)21-3-2-10-30(20)21/h2-8,10,13H,9,11-12,14H2,1H3,(H,26,31)(H,28,32)
InChIKeyIIMPPFHUKOQLGL-UHFFFAOYSA-N
XLogP2.96
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (CID 171776710) is 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3)[nH]c(=O)c3cccn34)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The InChIKey is IIMPPFHUKOQLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-26-23(31)18-6-5-17(22(25)27-18)16-8-11-29(12-9-16)14-15-4-7-20-19(13-15)28-24(32)21-3-2-10-30(20)21/h2-8,10,13H,9,11-12,14H2,1H3,(H,26,31)(H,28,32).
What are the key properties of 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171776710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).