methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate

C23H22N4O6 — CID 2909306

IUPACmethyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(C(=O)OC)o1
InChIInChI=1S/C23H22N4O6/c1-4-30-18-9-13(20-15(10-24)21(25)33-22-19(20)12(2)26-27-22)5-7-16(18)31-11-14-6-8-17(32-14)23(28)29-3/h5-9,20H,4,11,25H2,1-3H3,(H,26,27)
InChIKeyQEJYBWQHYMMGSD-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.29
Rot. Bonds7

About methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate

methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate (PubChem CID 2909306) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate
PubChem CID2909306
Molecular FormulaC23H22N4O6
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Namemethyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(C(=O)OC)o1
InChIInChI=1S/C23H22N4O6/c1-4-30-18-9-13(20-15(10-24)21(25)33-22-19(20)12(2)26-27-22)5-7-16(18)31-11-14-6-8-17(32-14)23(28)29-3/h5-9,20H,4,11,25H2,1-3H3,(H,26,27)
InChIKeyQEJYBWQHYMMGSD-UHFFFAOYSA-N
XLogP3.29
TPSA145.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4S)-6-amino-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 951901
(4S)-6-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 126152059
6-amino-4-[3-ethoxy-4-(2-hydroxyethoxy)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2951242
6-amino-4-(3-ethoxy-4-propoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3154779
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(4-bromophenyl)acetamide
CID 3505120
2-[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]-N-(3-methoxyphenyl)acetamide
CID 4542743
(4S)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086266
(4R)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086265
6-amino-4-[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3666065
2-[4-[(4S)-6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 1096163
6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3739288
(4S)-6-amino-4-(4-ethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 682942

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate (CID 2909306) is methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate is CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate?
The InChIKey is QEJYBWQHYMMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6/c1-4-30-18-9-13(20-15(10-24)21(25)33-22-19(20)12(2)26-27-22)5-7-16(18)31-11-14-6-8-17(32-14)23(28)29-3/h5-9,20H,4,11,25H2,1-3H3,(H,26,27).
What are the key properties of methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate?
methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate has a molecular weight of 450.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 2909306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).