(3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one

C25H25N7O2S — CID 170573886

About (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one

(3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170573886) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 170573886
• Molecular Formula: C25H25N7O2S
• Molecular Weight: 487.59 g/mol
• Exact Mass: 487.18
• IUPAC Name: (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN1CC[C@@](O)(c2cccc(-c3nc(-c4ccnc(Nc5cnn(CC6CC6)c5)n4)cs3)c2)C1=O
• InChI: InChI=1S/C25H25N7O2S/c1-31-10-8-25(34,23(31)33)18-4-2-3-17(11-18)22-29-21(15-35-22)20-7-9-26-24(30-20)28-19-12-27-32(14-19)13-16-5-6-16/h2-4,7,9,11-12,14-16,34H,5-6,8,10,13H2,1H3,(H,26,28,30)/t25-/m1/s1
• InChIKey: IFLWUUMLQDTUPT-RUZDIDTESA-N
• XLogP: 3.67
• TPSA: 109.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.59
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?

The IUPAC name of (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170573886) is (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one.

What is the SMILES notation for (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?

The canonical SMILES for (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@@](O)(c2cccc(-c3nc(-c4ccnc(Nc5cnn(CC6CC6)c5)n4)cs3)c2)C1=O.

What is the InChIKey of (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?

The InChIKey is IFLWUUMLQDTUPT-RUZDIDTESA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-31-10-8-25(34,23(31)33)18-4-2-3-17(11-18)22-29-21(15-35-22)20-7-9-26-24(30-20)28-19-12-27-32(14-19)13-16-5-6-16/h2-4,7,9,11-12,14-16,34H,5-6,8,10,13H2,1H3,(H,26,28,30)/t25-/m1/s1.

What are the key properties of (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one?

(3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 487.59 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170573886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).