4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide

C25H23F2N3O4S — CID 58832989

IUPAC4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESCc1cc(OCc2cc(F)cc(F)c2)cc(OCc2csc3c(C(=O)NCCO)cnc(N)c23)c1
InChIInChI=1S/C25H23F2N3O4S/c1-14-4-19(33-11-15-6-17(26)8-18(27)7-15)9-20(5-14)34-12-16-13-35-23-21(25(32)29-2-3-31)10-30-24(28)22(16)23/h4-10,13,31H,2-3,11-12H2,1H3,(H2,28,30)(H,29,32)
InChIKeyBOXCSZUCAHNCLH-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.35
Rot. Bonds9

About 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide

4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 58832989) has the molecular formula C25H23F2N3O4S and a molecular weight of 499.54 g/mol. Its IUPAC name is 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID58832989
Molecular FormulaC25H23F2N3O4S
Molecular Weight499.54 g/mol
Exact Mass499.14
IUPAC Name4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
SMILESCc1cc(OCc2cc(F)cc(F)c2)cc(OCc2csc3c(C(=O)NCCO)cnc(N)c23)c1
InChIInChI=1S/C25H23F2N3O4S/c1-14-4-19(33-11-15-6-17(26)8-18(27)7-15)9-20(5-14)34-12-16-13-35-23-21(25(32)29-2-3-31)10-30-24(28)22(16)23/h4-10,13,31H,2-3,11-12H2,1H3,(H2,28,30)(H,29,32)
InChIKeyBOXCSZUCAHNCLH-UHFFFAOYSA-N
XLogP4.35
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide (CID 58832989) is 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide is Cc1cc(OCc2cc(F)cc(F)c2)cc(OCc2csc3c(C(=O)NCCO)cnc(N)c23)c1.
What is the InChIKey of 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is BOXCSZUCAHNCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4S/c1-14-4-19(33-11-15-6-17(26)8-18(27)7-15)9-20(5-14)34-12-16-13-35-23-21(25(32)29-2-3-31)10-30-24(28)22(16)23/h4-10,13,31H,2-3,11-12H2,1H3,(H2,28,30)(H,29,32).
What are the key properties of 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide?
4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 58832989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).