3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one

C23H24N8O2S — CID 170573992

IUPAC3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one
SMILESCC(Nc1nccc(-c2nc(-c3cc(C4(O)CCN(C)C4=O)ccn3)cs2)n1)c1ccn(C)n1
InChIInChI=1S/C23H24N8O2S/c1-14(16-6-10-31(3)29-16)26-22-25-9-5-17(28-22)20-27-19(13-34-20)18-12-15(4-8-24-18)23(33)7-11-30(2)21(23)32/h4-6,8-10,12-14,33H,7,11H2,1-3H3,(H,25,26,28)
InChIKeyRCBADYPCEHCOJA-UHFFFAOYSA-N
MW476.57 g/mol
LogP2.62
Rot. Bonds6

About 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one

3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one (PubChem CID 170573992) has the molecular formula C23H24N8O2S and a molecular weight of 476.57 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one
PubChem CID170573992
Molecular FormulaC23H24N8O2S
Molecular Weight476.57 g/mol
Exact Mass476.17
IUPAC Name3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one
SMILESCC(Nc1nccc(-c2nc(-c3cc(C4(O)CCN(C)C4=O)ccn3)cs2)n1)c1ccn(C)n1
InChIInChI=1S/C23H24N8O2S/c1-14(16-6-10-31(3)29-16)26-22-25-9-5-17(28-22)20-27-19(13-34-20)18-12-15(4-8-24-18)23(33)7-11-30(2)21(23)32/h4-6,8-10,12-14,33H,7,11H2,1-3H3,(H,25,26,28)
InChIKeyRCBADYPCEHCOJA-UHFFFAOYSA-N
XLogP2.62
TPSA121.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-hydroxy-1-methyl-3-[3-[6-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 177263070
(3R)-3-[4-fluoro-3-[2-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326835
3-hydroxy-1-methyl-3-[3-[4-[2-[1-(3-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574034
3-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-5-[2-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]benzonitrile
CID 170326378
3-[3-[4-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170574319
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574297
(3R)-3-hydroxy-1-methyl-3-[3-[2-[2-(1H-pyrazol-5-ylmethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 170404901
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-1,3-oxazol-5-yl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170405260
3-hydroxy-1-methyl-3-[5-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-3-pyridinyl]pyrrolidin-2-one
CID 170573802
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(5-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574376
(3R)-3-hydroxy-3-[3-[4-[2-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-1-methylpyrrolidin-2-one
CID 177281706
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573842

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one (CID 170573992) is 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one is CC(Nc1nccc(-c2nc(-c3cc(C4(O)CCN(C)C4=O)ccn3)cs2)n1)c1ccn(C)n1.
What is the InChIKey of 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one?
The InChIKey is RCBADYPCEHCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2S/c1-14(16-6-10-31(3)29-16)26-22-25-9-5-17(28-22)20-27-19(13-34-20)18-12-15(4-8-24-18)23(33)7-11-30(2)21(23)32/h4-6,8-10,12-14,33H,7,11H2,1-3H3,(H,25,26,28).
What are the key properties of 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one?
3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one has a molecular weight of 476.57 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-[2-[2-[2-[1-(1-methylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-4-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 170573992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).