[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate

C26H24BrN5O5 — CID 3482166

IUPAC[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C26H24BrN5O5/c1-2-35-20-13-16(5-8-19(20)36-26(33)32-9-11-34-12-10-32)21-18(14-28)24(29)37-25-22(21)23(30-31-25)15-3-6-17(27)7-4-15/h3-8,13,21H,2,9-12,29H2,1H3,(H,30,31)
InChIKeyMFBUIYQCZYSDCS-UHFFFAOYSA-N
MW566.41 g/mol
LogP4.29
Rot. Bonds5

About [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate

[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate (PubChem CID 3482166) has the molecular formula C26H24BrN5O5 and a molecular weight of 566.41 g/mol. Its IUPAC name is [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate
PubChem CID3482166
Molecular FormulaC26H24BrN5O5
Molecular Weight566.41 g/mol
Exact Mass565.10
IUPAC Name[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate
SMILESCCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C26H24BrN5O5/c1-2-35-20-13-16(5-8-19(20)36-26(33)32-9-11-34-12-10-32)21-18(14-28)24(29)37-25-22(21)23(30-31-25)15-3-6-17(27)7-4-15/h3-8,13,21H,2,9-12,29H2,1H3,(H,30,31)
InChIKeyMFBUIYQCZYSDCS-UHFFFAOYSA-N
XLogP4.29
TPSA135.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4S)-6-amino-5-cyano-3-(3,4-dichlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl] morpholine-4-carboxylate
CID 92905507
[3-[(4S)-6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 1272640
[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 1044631
[4-[(4S)-6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl] morpholine-4-carboxylate
CID 1038749
6-amino-3-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3408551
[4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl] morpholine-4-carboxylate
CID 6737906
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 3241692
6-amino-3-(4-ethoxyphenyl)-4-(3-ethoxy-4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4640767
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3714032
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
(4S)-6-amino-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7236449
(4S)-6-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044687

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate?
The IUPAC name of [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate (CID 3482166) is [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate is CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)ccc1OC(=O)N1CCOCC1.
What is the InChIKey of [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate?
The InChIKey is MFBUIYQCZYSDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN5O5/c1-2-35-20-13-16(5-8-19(20)36-26(33)32-9-11-34-12-10-32)21-18(14-28)24(29)37-25-22(21)23(30-31-25)15-3-6-17(27)7-4-15/h3-8,13,21H,2,9-12,29H2,1H3,(H,30,31).
What are the key properties of [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate?
[4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate has a molecular weight of 566.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl] morpholine-4-carboxylate is sourced from PubChem (CID 3482166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).