(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C16H12FN3O2 — CID 930402

IUPAC(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C16H12FN3O2/c1-8-6-12-14(16(21)20-8)13(10(7-18)15(19)22-12)9-4-2-3-5-11(9)17/h2-6,13H,19H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyMGFLXJXSFLCALD-ZDUSSCGKSA-N
MW297.29 g/mol
LogP2.04
Rot. Bonds1

About (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 930402) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID930402
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C16H12FN3O2/c1-8-6-12-14(16(21)20-8)13(10(7-18)15(19)22-12)9-4-2-3-5-11(9)17/h2-6,13H,19H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyMGFLXJXSFLCALD-ZDUSSCGKSA-N
XLogP2.04
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661945
2-amino-4-(3-bromo-4-fluorophenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 24854520
2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-(propan-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666654
2-amino-4-benzyl-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666721
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 667387
2-amino-4-(4-isopropylphenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4888550
2-amino-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 2754039
2-amino-7-methyl-5-oxo-4-[4-(propan-2-yl)phenyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 5142096
5-Amino-2,7-dioxo-4-phenyl-1,3,4,7-tetrahydro-2H-pyrano[4,3-b]pyridine-8-carbonitrile
CID 381860
2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3257869
2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3457057
2-amino-6-(2-(dimethylamino)ethyl)-4-(4-fluorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3773637

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 930402) is (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is MGFLXJXSFLCALD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-8-6-12-14(16(21)20-8)13(10(7-18)15(19)22-12)9-4-2-3-5-11(9)17/h2-6,13H,19H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
(4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 297.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 930402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).