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

C26H32N4O6 — CID 666401

IUPAC2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1cc(OC)c(C2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1OC
InChIInChI=1S/C26H32N4O6/c1-16-12-22-24(26(31)30(16)7-5-6-29-8-10-35-11-9-29)23(18(15-27)25(28)36-22)17-13-20(33-3)21(34-4)14-19(17)32-2/h12-14,23H,5-11,28H2,1-4H3
InChIKeyFMHUZGLCEAUEMO-UHFFFAOYSA-N
MW496.56 g/mol
LogP2.12
Rot. Bonds8

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

2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 666401) has the molecular formula C26H32N4O6 and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID666401
Molecular FormulaC26H32N4O6
Molecular Weight496.56 g/mol
Exact Mass496.23
IUPAC Name2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1cc(OC)c(C2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1OC
InChIInChI=1S/C26H32N4O6/c1-16-12-22-24(26(31)30(16)7-5-6-29-8-10-35-11-9-29)23(18(15-27)25(28)36-22)17-13-20(33-3)21(34-4)14-19(17)32-2/h12-14,23H,5-11,28H2,1-4H3
InChIKeyFMHUZGLCEAUEMO-UHFFFAOYSA-N
XLogP2.12
TPSA121.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 52.12
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-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 666401) is 2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is COc1cc(OC)c(C2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1OC.
What is the InChIKey of 2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is FMHUZGLCEAUEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O6/c1-16-12-22-24(26(31)30(16)7-5-6-29-8-10-35-11-9-29)23(18(15-27)25(28)36-22)17-13-20(33-3)21(34-4)14-19(17)32-2/h12-14,23H,5-11,28H2,1-4H3.
What are the key properties of 2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 496.56 g/mol, XLogP of 2.12, 8 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-(3-morpholin-4-ylpropyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 666401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).