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;hydrochloride

C33H35ClN6O3S — CID 66867968

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;hydrochloride

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;hydrochloride (PubChem CID 66867968) has the molecular formula C33H35ClN6O3S and a molecular weight of 631.20 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;hydrochloride.

Molecular Properties

• Compound Name: 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;hydrochloride
• PubChem CID: 66867968
• Molecular Formula: C33H35ClN6O3S
• Molecular Weight: 631.20 g/mol
• Exact Mass: 630.22
• IUPAC Name: 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;hydrochloride
• SMILES: COCCN1CCN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1.Cl
• InChI: InChI=1S/C33H34N6O3S.ClH/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);1H
• InChIKey: NBHDVAZVGFRQBV-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.20
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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;hydrochloride?

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;hydrochloride (CID 66867968) 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;hydrochloride.

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;hydrochloride?

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;hydrochloride is COCCN1CCN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)CC1.Cl.

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;hydrochloride?

The InChIKey is NBHDVAZVGFRQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3S.ClH/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);1H.

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;hydrochloride?

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;hydrochloride has a molecular weight of 631.20 g/mol, XLogP of 5.74, 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;hydrochloride is sourced from PubChem (CID 66867968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).