[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

C29H31N5O9 — CID 6737906

IUPAC[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
SMILESCOc1cc(-c2[nH]nc3c2C(c2cc(OC)c(OC(=O)N4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc(OC)c1OC
InChIInChI=1S/C29H31N5O9/c1-36-18-12-16(13-19(37-2)25(18)40-5)24-23-22(17(14-30)27(31)43-28(23)33-32-24)15-10-20(38-3)26(21(11-15)39-4)42-29(35)34-6-8-41-9-7-34/h10-13,22H,6-9,31H2,1-5H3,(H,32,33)
InChIKeyMMTVOZJGCBDGQW-UHFFFAOYSA-N
MW593.59 g/mol
LogP3.17
Rot. Bonds8

About [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

[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 (PubChem CID 6737906) has the molecular formula C29H31N5O9 and a molecular weight of 593.59 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID6737906
Molecular FormulaC29H31N5O9
Molecular Weight593.59 g/mol
Exact Mass593.21
IUPAC Name[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
SMILESCOc1cc(-c2[nH]nc3c2C(c2cc(OC)c(OC(=O)N4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc(OC)c1OC
InChIInChI=1S/C29H31N5O9/c1-36-18-12-16(13-19(37-2)25(18)40-5)24-23-22(17(14-30)27(31)43-28(23)33-32-24)15-10-20(38-3)26(21(11-15)39-4)42-29(35)34-6-8-41-9-7-34/h10-13,22H,6-9,31H2,1-5H3,(H,32,33)
InChIKeyMMTVOZJGCBDGQW-UHFFFAOYSA-N
XLogP3.17
TPSA172.64 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.59
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze [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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1cc(-c2[nH]nc3c2C(c2cc(OC)c(OC(=O)N4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc(OC)c1OC.
What is the InChIKey of [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?
The InChIKey is MMTVOZJGCBDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O9/c1-36-18-12-16(13-19(37-2)25(18)40-5)24-23-22(17(14-30)27(31)43-28(23)33-32-24)15-10-20(38-3)26(21(11-15)39-4)42-29(35)34-6-8-41-9-7-34/h10-13,22H,6-9,31H2,1-5H3,(H,32,33).
What are the key properties of [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?
[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 has a molecular weight of 593.59 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 6737906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).