5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide

C27H24F3N3O6 — CID 4611596

IUPAC5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C27H24F3N3O6/c1-14-23-19(15(13-34)12-31-14)11-20(25(35)32-17-7-5-6-16(8-17)27(28,29)30)26(39-23)33-18-9-21(36-2)24(38-4)22(10-18)37-3/h5-12,34H,13H2,1-4H3,(H,32,35)/b33-26-
InChIKeyLMUKFMOIVAFGJI-MKFPQRGTSA-N
MW543.50 g/mol
LogP5.16
Rot. Bonds7

About 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide

5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4611596) has the molecular formula C27H24F3N3O6 and a molecular weight of 543.50 g/mol. Its IUPAC name is 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID4611596
Molecular FormulaC27H24F3N3O6
Molecular Weight543.50 g/mol
Exact Mass543.16
IUPAC Name5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C27H24F3N3O6/c1-14-23-19(15(13-34)12-31-14)11-20(25(35)32-17-7-5-6-16(8-17)27(28,29)30)26(39-23)33-18-9-21(36-2)24(38-4)22(10-18)37-3/h5-12,34H,13H2,1-4H3,(H,32,35)/b33-26-
InChIKeyLMUKFMOIVAFGJI-MKFPQRGTSA-N
XLogP5.16
TPSA115.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide 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 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide (CID 4611596) is 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide is COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC.
What is the InChIKey of 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is LMUKFMOIVAFGJI-MKFPQRGTSA-N. The full InChI is InChI=1S/C27H24F3N3O6/c1-14-23-19(15(13-34)12-31-14)11-20(25(35)32-17-7-5-6-16(8-17)27(28,29)30)26(39-23)33-18-9-21(36-2)24(38-4)22(10-18)37-3/h5-12,34H,13H2,1-4H3,(H,32,35)/b33-26-.
What are the key properties of 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 543.50 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4611596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).