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

C22H26N6O3S — CID 123683281

IUPACN-(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
SMILESCC1CCN(c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3C3CC3)co2)C1
InChIInChI=1S/C22H26N6O3S/c1-13-4-5-28(11-13)21-24-16(12-31-21)20(29)23-15-10-17-19(25-18(15)14-2-3-14)26-22(32-17)27-6-8-30-9-7-27/h10,12-14H,2-9,11H2,1H3,(H,23,29)
InChIKeyUKWQJFREPSULPV-UHFFFAOYSA-N
MW454.56 g/mol
LogP3.49
Rot. Bonds5

About 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

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 (PubChem CID 123683281) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID123683281
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC NameN-(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
SMILESCC1CCN(c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3C3CC3)co2)C1
InChIInChI=1S/C22H26N6O3S/c1-13-4-5-28(11-13)21-24-16(12-31-21)20(29)23-15-10-17-19(25-18(15)14-2-3-14)26-22(32-17)27-6-8-30-9-7-27/h10,12-14H,2-9,11H2,1H3,(H,23,29)
InChIKeyUKWQJFREPSULPV-UHFFFAOYSA-N
XLogP3.49
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(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
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
N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123930185
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-methyl-2-morpholin-4-yl-1,3-oxazole-4-carboxamide
CID 142501279
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-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1-[2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazol-4-yl]ethanone;sulfane
CID 158372340
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
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-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide
CID 138526767

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCN(c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3C3CC3)co2)C1.
What is the InChIKey of 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?
The InChIKey is UKWQJFREPSULPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c1-13-4-5-28(11-13)21-24-16(12-31-21)20(29)23-15-10-17-19(25-18(15)14-2-3-14)26-22(32-17)27-6-8-30-9-7-27/h10,12-14H,2-9,11H2,1H3,(H,23,29).
What are the key properties of 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?
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 has a molecular weight of 454.56 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123683281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).