(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one

C24H24N8O3 — CID 177263121

IUPAC(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn6c5CNCC6)n4)c3)no2)C1=O
InChIInChI=1S/C24H24N8O3/c1-31-9-6-24(34,22(31)33)21-12-18(30-35-21)16-4-2-3-15(11-16)17-5-7-26-23(28-17)29-19-13-27-32-10-8-25-14-20(19)32/h2-5,7,11-13,25,34H,6,8-10,14H2,1H3,(H,26,28,29)/t24-/m1/s1
InChIKeyPOTOYHKGPAXPGS-XMMPIXPASA-N
MW472.51 g/mol
LogP1.89
Rot. Bonds5

About (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one

(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (PubChem CID 177263121) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
PubChem CID177263121
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn6c5CNCC6)n4)c3)no2)C1=O
InChIInChI=1S/C24H24N8O3/c1-31-9-6-24(34,22(31)33)21-12-18(30-35-21)16-4-2-3-15(11-16)17-5-7-26-23(28-17)29-19-13-27-32-10-8-25-14-20(19)32/h2-5,7,11-13,25,34H,6,8-10,14H2,1H3,(H,26,28,29)/t24-/m1/s1
InChIKeyPOTOYHKGPAXPGS-XMMPIXPASA-N
XLogP1.89
TPSA134.23 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one 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

3-[3-[6-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170377252
(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326465
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380496
(3R)-3-[3-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380619
3-[3-[3-[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326207
(3R)-3-hydroxy-3-[3-[3-[2-[(4-methoxy-1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170326688
(3R)-3-[3-[6-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380295
3-[5-[6-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326541
3-[3-[6-[2-[(5-fluoro-2-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170377444
3-hydroxy-1-methyl-3-[3-[6-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326335
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methyl-1,2,4-triazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170380706
4-[[4-[6-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]pyridine-3-carbonitrile
CID 170380608

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one (CID 177263121) is (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is CN1CC[C@@](O)(c2cc(-c3cccc(-c4ccnc(Nc5cnn6c5CNCC6)n4)c3)no2)C1=O.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
The InChIKey is POTOYHKGPAXPGS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N8O3/c1-31-9-6-24(34,22(31)33)21-12-18(30-35-21)16-4-2-3-15(11-16)17-5-7-26-23(28-17)29-19-13-27-32-10-8-25-14-20(19)32/h2-5,7,11-13,25,34H,6,8-10,14H2,1H3,(H,26,28,29)/t24-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one?
(3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one has a molecular weight of 472.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-[3-[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylamino)pyrimidin-4-yl]phenyl]-1,2-oxazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 177263121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).