N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride

C27H31ClN6O5S — CID 135239369

About N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride

N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride (PubChem CID 135239369) has the molecular formula C27H31ClN6O5S and a molecular weight of 587.10 g/mol. Its IUPAC name is N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride
• PubChem CID: 135239369
• Molecular Formula: C27H31ClN6O5S
• Molecular Weight: 587.10 g/mol
• Exact Mass: 586.18
• IUPAC Name: N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride
• SMILES: Cc1cc(-c2ccc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCC(O)(CO)C3)o2)ccn1.Cl
• InChI: InChI=1S/C27H30N6O5S.ClH/c1-17-13-18(5-7-28-17)20-3-4-21(38-20)25(35)29-19-14-22-23(31-26(39-22)32-9-11-37-12-10-32)30-24(19)33-8-2-6-27(36,15-33)16-34;/h3-5,7,13-14,34,36H,2,6,8-12,15-16H2,1H3,(H,29,35);1H
• InChIKey: BQKMVMHHQWKKAZ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 137.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.10
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride?

The IUPAC name of N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride (CID 135239369) is N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride?

The canonical SMILES for N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride is Cc1cc(-c2ccc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCC(O)(CO)C3)o2)ccn1.Cl.

What is the InChIKey of N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride?

The InChIKey is BQKMVMHHQWKKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5S.ClH/c1-17-13-18(5-7-28-17)20-3-4-21(38-20)25(35)29-19-14-22-23(31-26(39-22)32-9-11-37-12-10-32)30-24(19)33-8-2-6-27(36,15-33)16-34;/h3-5,7,13-14,34,36H,2,6,8-12,15-16H2,1H3,(H,29,35);1H.

What are the key properties of N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride?

N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride has a molecular weight of 587.10 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 135239369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).