ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate

C23H27NO5 — CID 166726204

IUPACethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(C3CC3)c1=O)-c1cc(OC)c(C)cc1OC2C(C)C
InChIInChI=1S/C23H27NO5/c1-6-28-23(26)17-10-16-20(24(22(17)25)14-7-8-14)15-11-18(27-5)13(4)9-19(15)29-21(16)12(2)3/h9-12,14,21H,6-8H2,1-5H3
InChIKeyHRCFAWOGDNQPBY-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.43
Rot. Bonds5

About ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate

ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate (PubChem CID 166726204) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate
PubChem CID166726204
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Nameethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(C3CC3)c1=O)-c1cc(OC)c(C)cc1OC2C(C)C
InChIInChI=1S/C23H27NO5/c1-6-28-23(26)17-10-16-20(24(22(17)25)14-7-8-14)15-11-18(27-5)13(4)9-19(15)29-21(16)12(2)3/h9-12,14,21H,6-8H2,1-5H3
InChIKeyHRCFAWOGDNQPBY-UHFFFAOYSA-N
XLogP4.43
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
CID 166726176
9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid
CID 154637624
ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
CID 156760210
9-chloro-1-(3,3-difluorocyclobutyl)-8-(3-methoxypropoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid
CID 138680364
propan-2-yl 9-chloro-1-cyclopropyl-8-ethoxy-5-methyl-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylate
CID 155339681
propan-2-yl 1-cyclopropyl-8-(3-methoxypropoxy)-5-methyl-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylate
CID 155339596
ethyl (6S)-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 126538627
ethyl (6S)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 140879831
(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 56957518
ethyl 2-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-hydroxyacetate
CID 76526167
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate (CID 166726204) is ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c(n(C3CC3)c1=O)-c1cc(OC)c(C)cc1OC2C(C)C.
What is the InChIKey of ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The InChIKey is HRCFAWOGDNQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-6-28-23(26)17-10-16-20(24(22(17)25)14-7-8-14)15-11-18(27-5)13(4)9-19(15)29-21(16)12(2)3/h9-12,14,21H,6-8H2,1-5H3.
What are the key properties of ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate?
ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 166726204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).