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

C25H33N7O3S — CID 123882569

IUPAC2-(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
SMILESCCC1CCN(c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCCC3)co2)C1
InChIInChI=1S/C25H33N7O3S/c1-2-17-6-9-32(15-17)24-27-19(16-35-24)23(33)26-18-14-20-21(28-22(18)30-7-4-3-5-8-30)29-25(36-20)31-10-12-34-13-11-31/h14,16-17H,2-13,15H2,1H3,(H,26,33)
InChIKeyPKDARGSLVBGUNW-UHFFFAOYSA-N
MW511.65 g/mol
LogP3.99
Rot. Bonds6

About 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

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 (PubChem CID 123882569) has the molecular formula C25H33N7O3S and a molecular weight of 511.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID123882569
Molecular FormulaC25H33N7O3S
Molecular Weight511.65 g/mol
Exact Mass511.24
IUPAC Name2-(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
SMILESCCC1CCN(c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCCC3)co2)C1
InChIInChI=1S/C25H33N7O3S/c1-2-17-6-9-32(15-17)24-27-19(16-35-24)23(33)26-18-14-20-21(28-22(18)30-7-4-3-5-8-30)29-25(36-20)31-10-12-34-13-11-31/h14,16-17H,2-13,15H2,1H3,(H,26,33)
InChIKeyPKDARGSLVBGUNW-UHFFFAOYSA-N
XLogP3.99
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
[(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-[(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
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
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
[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
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
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-[(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-(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CCN(c2nc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCCC3)co2)C1.
What is the InChIKey of 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?
The InChIKey is PKDARGSLVBGUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3S/c1-2-17-6-9-32(15-17)24-27-19(16-35-24)23(33)26-18-14-20-21(28-22(18)30-7-4-3-5-8-30)29-25(36-20)31-10-12-34-13-11-31/h14,16-17H,2-13,15H2,1H3,(H,26,33).
What are the key properties of 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?
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 has a molecular weight of 511.65 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).