2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide

C24H29N5O5S — CID 76587228

IUPAC2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCOCC3)n3ccc(N4CCC(O)C4)cc3=O)sc2n1
InChIInChI=1S/C24H29N5O5S/c1-33-20-3-2-18-23(26-20)35-24(25-18)27-22(32)19(12-15-6-10-34-11-7-15)29-9-4-16(13-21(29)31)28-8-5-17(30)14-28/h2-4,9,13,15,17,19,30H,5-8,10-12,14H2,1H3,(H,25,27,32)
InChIKeyMFOKTLYNDORLOU-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.43
Rot. Bonds7

About 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide

2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 76587228) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
PubChem CID76587228
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC Name2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCOCC3)n3ccc(N4CCC(O)C4)cc3=O)sc2n1
InChIInChI=1S/C24H29N5O5S/c1-33-20-3-2-18-23(26-20)35-24(25-18)27-22(32)19(12-15-6-10-34-11-7-15)29-9-4-16(13-21(29)31)28-8-5-17(30)14-28/h2-4,9,13,15,17,19,30H,5-8,10-12,14H2,1H3,(H,25,27,32)
InChIKeyMFOKTLYNDORLOU-UHFFFAOYSA-N
XLogP2.43
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?
The IUPAC name of 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide (CID 76587228) is 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCOCC3)n3ccc(N4CCC(O)C4)cc3=O)sc2n1.
What is the InChIKey of 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?
The InChIKey is MFOKTLYNDORLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-33-20-3-2-18-23(26-20)35-24(25-18)27-22(32)19(12-15-6-10-34-11-7-15)29-9-4-16(13-21(29)31)28-8-5-17(30)14-28/h2-4,9,13,15,17,19,30H,5-8,10-12,14H2,1H3,(H,25,27,32).
What are the key properties of 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide?
2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 499.59 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-pyridinyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 76587228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).