(4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C24H27N3O5 — CID 1396221

IUPAC(4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OC
InChIInChI=1S/C24H27N3O5/c1-4-30-18-8-7-15(11-19(18)29-3)21-17(12-25)23(26)32-20-10-14(2)27(24(28)22(20)21)13-16-6-5-9-31-16/h7-8,10-11,16,21H,4-6,9,13,26H2,1-3H3/t16-,21-/m1/s1
InChIKeyFKCFWYNHXGOBNA-IIBYNOLFSA-N
MW437.50 g/mol
LogP2.96
Rot. Bonds6

About (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile

(4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 1396221) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID1396221
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name(4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OC
InChIInChI=1S/C24H27N3O5/c1-4-30-18-8-7-15(11-19(18)29-3)21-17(12-25)23(26)32-20-10-14(2)27(24(28)22(20)21)13-16-6-5-9-31-16/h7-8,10-11,16,21H,4-6,9,13,26H2,1-3H3/t16-,21-/m1/s1
InChIKeyFKCFWYNHXGOBNA-IIBYNOLFSA-N
XLogP2.96
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3846924
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 16803411
2-amino-4-(3,4-diethoxyphenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661687
2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661896
(4S)-2-amino-7-methyl-5-oxo-6-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1395929
(4S)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1392128
2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3793838
2-amino-4-(4-chlorophenyl)-5-oxo-6-(oxolan-2-ylmethyl)-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475668
2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(thiophen-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4549460
2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3979581
2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4751466
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4891815

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 1396221) is (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1OC.
What is the InChIKey of (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is FKCFWYNHXGOBNA-IIBYNOLFSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-4-30-18-8-7-15(11-19(18)29-3)21-17(12-25)23(26)32-20-10-14(2)27(24(28)22(20)21)13-16-6-5-9-31-16/h7-8,10-11,16,21H,4-6,9,13,26H2,1-3H3/t16-,21-/m1/s1.
What are the key properties of (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
(4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 437.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 1396221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).