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

C25H30N4O6 — CID 5203912

IUPAC2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c(OC)c1OC
InChIInChI=1S/C25H30N4O6/c1-15-13-19-21(25(30)29(15)8-7-28-9-11-34-12-10-28)20(17(14-26)24(27)35-19)16-5-6-18(31-2)23(33-4)22(16)32-3/h5-6,13,20H,7-12,27H2,1-4H3
InChIKeyQSEBPNZVNVMVLX-UHFFFAOYSA-N
MW482.54 g/mol
LogP1.73
Rot. Bonds7

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

2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 5203912) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID5203912
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Name2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c(OC)c1OC
InChIInChI=1S/C25H30N4O6/c1-15-13-19-21(25(30)29(15)8-7-28-9-11-34-12-10-28)20(17(14-26)24(27)35-19)16-5-6-18(31-2)23(33-4)22(16)32-3/h5-6,13,20H,7-12,27H2,1-4H3
InChIKeyQSEBPNZVNVMVLX-UHFFFAOYSA-N
XLogP1.73
TPSA121.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 5203912) is 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c(OC)c1OC.
What is the InChIKey of 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is QSEBPNZVNVMVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-15-13-19-21(25(30)29(15)8-7-28-9-11-34-12-10-28)20(17(14-26)24(27)35-19)16-5-6-18(31-2)23(33-4)22(16)32-3/h5-6,13,20H,7-12,27H2,1-4H3.
What are the key properties of 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 482.54 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 5203912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).