4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane

C26H29N3O5S — CID 161008574

IUPAC4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane
SMILESC.COc1ccc(COc2cccc(OCc3csc4c(C(=O)NCCO)cnc(N)c34)c2)cc1
InChIInChI=1S/C25H25N3O5S.CH4/c1-31-18-7-5-16(6-8-18)13-32-19-3-2-4-20(11-19)33-14-17-15-34-23-21(25(30)27-9-10-29)12-28-24(26)22(17)23;/h2-8,11-12,15,29H,9-10,13-14H2,1H3,(H2,26,28)(H,27,30);1H4
InChIKeyTWVFVFDCPWVKCP-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.40
Rot. Bonds10

About 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane

4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane (PubChem CID 161008574) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane
PubChem CID161008574
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane
SMILESC.COc1ccc(COc2cccc(OCc3csc4c(C(=O)NCCO)cnc(N)c34)c2)cc1
InChIInChI=1S/C25H25N3O5S.CH4/c1-31-18-7-5-16(6-8-18)13-32-19-3-2-4-20(11-19)33-14-17-15-34-23-21(25(30)27-9-10-29)12-28-24(26)22(17)23;/h2-8,11-12,15,29H,9-10,13-14H2,1H3,(H2,26,28)(H,27,30);1H4
InChIKeyTWVFVFDCPWVKCP-UHFFFAOYSA-N
XLogP4.40
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-amino-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 160618390
4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
CID 58832989
4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide
CID 58832880
4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine
CID 126695472
[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 126662805
ethyl 4-amino-3-[(3-phenoxyphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 162100170
(2-amino-2-oxoethyl) 4-amino-3-[[3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 67100927
[4-amino-3-[[3-(cyclopropylcarbamoyl)phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 126662733
ethyl 4-amino-3-[(3-benzylsulfanylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 160746367
4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
CID 141166245
2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol
CID 126696413
4-amino-3-[(4-bromophenoxy)methyl]-N-[2-(2-pyrrolidin-1-ylethoxy)ethyl]thieno[3,2-c]pyridine-7-carboxamide
CID 11591687

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane (CID 161008574) is 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane is C.COc1ccc(COc2cccc(OCc3csc4c(C(=O)NCCO)cnc(N)c34)c2)cc1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane?
The InChIKey is TWVFVFDCPWVKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S.CH4/c1-31-18-7-5-16(6-8-18)13-32-19-3-2-4-20(11-19)33-14-17-15-34-23-21(25(30)27-9-10-29)12-28-24(26)22(17)23;/h2-8,11-12,15,29H,9-10,13-14H2,1H3,(H2,26,28)(H,27,30);1H4.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane?
4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane has a molecular weight of 495.60 g/mol, XLogP of 4.40, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane is sourced from PubChem (CID 161008574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).