2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C22H23FN4O3 — CID 3815636

IUPAC2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN1CCOCC1)C(c1cccc(F)c1)C(C#N)=C(N)O2
InChIInChI=1S/C22H23FN4O3/c1-14-11-18-20(22(28)27(14)6-5-26-7-9-29-10-8-26)19(17(13-24)21(25)30-18)15-3-2-4-16(23)12-15/h2-4,11-12,19H,5-10,25H2,1H3
InChIKeyVZQCPZQQDRXIPS-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3815636) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3815636
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN1CCOCC1)C(c1cccc(F)c1)C(C#N)=C(N)O2
InChIInChI=1S/C22H23FN4O3/c1-14-11-18-20(22(28)27(14)6-5-26-7-9-29-10-8-26)19(17(13-24)21(25)30-18)15-3-2-4-16(23)12-15/h2-4,11-12,19H,5-10,25H2,1H3
InChIKeyVZQCPZQQDRXIPS-UHFFFAOYSA-N
XLogP1.85
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 3815636) is 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCN1CCOCC1)C(c1cccc(F)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is VZQCPZQQDRXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-11-18-20(22(28)27(14)6-5-26-7-9-29-10-8-26)19(17(13-24)21(25)30-18)15-3-2-4-16(23)12-15/h2-4,11-12,19H,5-10,25H2,1H3.
What are the key properties of 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 410.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).