4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

C33H34N6O3S — CID 58101510

IUPAC4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCOCCN1CCN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1
InChIInChI=1S/C33H34N6O3S/c1-41-20-18-38-14-16-39(17-15-38)19-21-42-25-22-29(24-8-3-2-4-9-24)35-30(23-25)31(40)36-27-11-6-5-10-26(27)32-37-28-12-7-13-34-33(28)43-32/h2-13,22-23H,14-21H2,1H3,(H,36,40)
InChIKeyXXESABHFXZCMPD-UHFFFAOYSA-N
MW594.74 g/mol
LogP5.32
Rot. Bonds11

About 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58101510) has the molecular formula C33H34N6O3S and a molecular weight of 594.74 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58101510
Molecular FormulaC33H34N6O3S
Molecular Weight594.74 g/mol
Exact Mass594.24
IUPAC Name4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCOCCN1CCN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1
InChIInChI=1S/C33H34N6O3S/c1-41-20-18-38-14-16-39(17-15-38)19-21-42-25-22-29(24-8-3-2-4-9-24)35-30(23-25)31(40)36-27-11-6-5-10-26(27)32-37-28-12-7-13-34-33(28)43-32/h2-13,22-23H,14-21H2,1H3,(H,36,40)
InChIKeyXXESABHFXZCMPD-UHFFFAOYSA-N
XLogP5.32
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.74
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-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 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58101510) is 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is COCCN1CCN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is XXESABHFXZCMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3S/c1-41-20-18-38-14-16-39(17-15-38)19-21-42-25-22-29(24-8-3-2-4-9-24)35-30(23-25)31(40)36-27-11-6-5-10-26(27)32-37-28-12-7-13-34-33(28)43-32/h2-13,22-23H,14-21H2,1H3,(H,36,40).
What are the key properties of 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 594.74 g/mol, XLogP of 5.32, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58101510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).