6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

C26H33N7O3S — CID 135239356

IUPAC6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2sc(N3CCOCC3)nc2nc1N1CCCCC1)c1cccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C26H33N7O3S/c34-18-6-5-11-33(17-18)22-8-4-7-19(27-22)25(35)28-20-16-21-23(29-24(20)31-9-2-1-3-10-31)30-26(37-21)32-12-14-36-15-13-32/h4,7-8,16,18,34H,1-3,5-6,9-15,17H2,(H,28,35)/t18-/m0/s1
InChIKeyVFDVSYPBJNSOON-SFHVURJKSA-N
MW523.66 g/mol
LogP3.13
Rot. Bonds5

About 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide (PubChem CID 135239356) has the molecular formula C26H33N7O3S and a molecular weight of 523.66 g/mol. Its IUPAC name is 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
PubChem CID135239356
Molecular FormulaC26H33N7O3S
Molecular Weight523.66 g/mol
Exact Mass523.24
IUPAC Name6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2sc(N3CCOCC3)nc2nc1N1CCCCC1)c1cccc(N2CCC[C@H](O)C2)n1
InChIInChI=1S/C26H33N7O3S/c34-18-6-5-11-33(17-18)22-8-4-7-19(27-22)25(35)28-20-16-21-23(29-24(20)31-9-2-1-3-10-31)30-26(37-21)32-12-14-36-15-13-32/h4,7-8,16,18,34H,1-3,5-6,9-15,17H2,(H,28,35)/t18-/m0/s1
InChIKeyVFDVSYPBJNSOON-SFHVURJKSA-N
XLogP3.13
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

[(3S)-1-[6-[(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 118224271
[1-[6-[[2,5-di(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 122700285
6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 145231708
2-(3-ethylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 123882569
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123683281
N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573960
6-morpholin-4-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 84574004
N-[2-[(6R)-2-hydroxy-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 130339798
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
N-(2-methoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573867
N-(2-amino-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-(2-oxo-1H-pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 163476093
6-(6-methyl-3-pyridinyl)-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 167636477

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide (CID 135239356) is 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide is O=C(Nc1cc2sc(N3CCOCC3)nc2nc1N1CCCCC1)c1cccc(N2CCC[C@H](O)C2)n1.
What is the InChIKey of 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
The InChIKey is VFDVSYPBJNSOON-SFHVURJKSA-N. The full InChI is InChI=1S/C26H33N7O3S/c34-18-6-5-11-33(17-18)22-8-4-7-19(27-22)25(35)28-20-16-21-23(29-24(20)31-9-2-1-3-10-31)30-26(37-21)32-12-14-36-15-13-32/h4,7-8,16,18,34H,1-3,5-6,9-15,17H2,(H,28,35)/t18-/m0/s1.
What are the key properties of 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide has a molecular weight of 523.66 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 135239356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).