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

C27H31N7O4S — CID 130339798

IUPACN-[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
SMILESCc1cc(-c2nc(C(=O)Nc3cc4sc(N5C[C@@H](C)OC(C)(O)C5)nc4nc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C27H31N7O4S/c1-16-11-18(7-8-28-16)25-30-20(14-37-25)24(35)29-19-12-21-22(31-23(19)33-9-5-4-6-10-33)32-26(39-21)34-13-17(2)38-27(3,36)15-34/h7-8,11-12,14,17,36H,4-6,9-10,13,15H2,1-3H3,(H,29,35)/t17-,27?/m1/s1
InChIKeyHZZMKVMYZGXSNM-MOJDWNGGSA-N
MW549.66 g/mol
LogP4.23
Rot. Bonds5

About 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

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 (PubChem CID 130339798) has the molecular formula C27H31N7O4S and a molecular weight of 549.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID130339798
Molecular FormulaC27H31N7O4S
Molecular Weight549.66 g/mol
Exact Mass549.22
IUPAC NameN-[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
SMILESCc1cc(-c2nc(C(=O)Nc3cc4sc(N5C[C@@H](C)OC(C)(O)C5)nc4nc3N3CCCCC3)co2)ccn1
InChIInChI=1S/C27H31N7O4S/c1-16-11-18(7-8-28-16)25-30-20(14-37-25)24(35)29-19-12-21-22(31-23(19)33-9-5-4-6-10-33)32-26(39-21)34-13-17(2)38-27(3,36)15-34/h7-8,11-12,14,17,36H,4-6,9-10,13,15H2,1-3H3,(H,29,35)/t17-,27?/m1/s1
InChIKeyHZZMKVMYZGXSNM-MOJDWNGGSA-N
XLogP4.23
TPSA129.74 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.66
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-(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-[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-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde
CID 145231694
N-[5-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118224222
N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118224473
N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 175460560
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-[(3S)-3-ethylpyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 163922721
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
N-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2nc(C(=O)Nc3cc4sc(N5C[C@@H](C)OC(C)(O)C5)nc4nc3N3CCCCC3)co2)ccn1.
What is the InChIKey of 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?
The InChIKey is HZZMKVMYZGXSNM-MOJDWNGGSA-N. The full InChI is InChI=1S/C27H31N7O4S/c1-16-11-18(7-8-28-16)25-30-20(14-37-25)24(35)29-19-12-21-22(31-23(19)33-9-5-4-6-10-33)32-26(39-21)34-13-17(2)38-27(3,36)15-34/h7-8,11-12,14,17,36H,4-6,9-10,13,15H2,1-3H3,(H,29,35)/t17-,27?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 549.66 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130339798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).