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

C20H19N7O3S — CID 163476093

IUPACN-(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
SMILESNc1nc2nc(N3CCCCC3)c(NC(=O)c3coc(-c4ccc[nH]c4=O)n3)cc2s1
InChIInChI=1S/C20H19N7O3S/c21-20-26-15-14(31-20)9-12(16(25-15)27-7-2-1-3-8-27)23-18(29)13-10-30-19(24-13)11-5-4-6-22-17(11)28/h4-6,9-10H,1-3,7-8H2,(H,22,28)(H,23,29)(H2,21,25,26)
InChIKeyCANOOGNBWQHXGN-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.86
Rot. Bonds4

About 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

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 (PubChem CID 163476093) has the molecular formula C20H19N7O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163476093
Molecular FormulaC20H19N7O3S
Molecular Weight437.49 g/mol
Exact Mass437.13
IUPAC NameN-(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
SMILESNc1nc2nc(N3CCCCC3)c(NC(=O)c3coc(-c4ccc[nH]c4=O)n3)cc2s1
InChIInChI=1S/C20H19N7O3S/c21-20-26-15-14(31-20)9-12(16(25-15)27-7-2-1-3-8-27)23-18(29)13-10-30-19(24-13)11-5-4-6-22-17(11)28/h4-6,9-10H,1-3,7-8H2,(H,22,28)(H,23,29)(H2,21,25,26)
InChIKeyCANOOGNBWQHXGN-UHFFFAOYSA-N
XLogP2.86
TPSA143.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 175460563
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
2-(6-amino-2-pyridinyl)-N-(2-morpholin-4-yl-5-pyrrolidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 145231697
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
[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
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
[(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
2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 118224336
N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
CID 126480642
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide;sulfane
CID 160845797
2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608421

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc2nc(N3CCCCC3)c(NC(=O)c3coc(-c4ccc[nH]c4=O)n3)cc2s1.
What is the InChIKey of 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?
The InChIKey is CANOOGNBWQHXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S/c21-20-26-15-14(31-20)9-12(16(25-15)27-7-2-1-3-8-27)23-18(29)13-10-30-19(24-13)11-5-4-6-22-17(11)28/h4-6,9-10H,1-3,7-8H2,(H,22,28)(H,23,29)(H2,21,25,26).
What are the key properties of 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?
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 has a molecular weight of 437.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163476093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).