3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one

C22H23N9O2 — CID 170326593

IUPAC3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5ccn(C)n5)n4)n3)n(C)n2)C1=O
InChIInChI=1S/C22H23N9O2/c1-29-12-9-22(33,20(29)32)18-13-17(31(3)27-18)16-6-4-5-14(24-16)15-7-10-23-21(25-15)26-19-8-11-30(2)28-19/h4-8,10-11,13,33H,9,12H2,1-3H3,(H,23,25,26,28)
InChIKeyMQRIAXYFZUJKAG-UHFFFAOYSA-N
MW445.49 g/mol
LogP1.47
Rot. Bonds5

About 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one

3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 170326593) has the molecular formula C22H23N9O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one
PubChem CID170326593
Molecular FormulaC22H23N9O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5ccn(C)n5)n4)n3)n(C)n2)C1=O
InChIInChI=1S/C22H23N9O2/c1-29-12-9-22(33,20(29)32)18-13-17(31(3)27-18)16-6-4-5-14(24-16)15-7-10-23-21(25-15)26-19-8-11-30(2)28-19/h4-8,10-11,13,33H,9,12H2,1-3H3,(H,23,25,26,28)
InChIKeyMQRIAXYFZUJKAG-UHFFFAOYSA-N
XLogP1.47
TPSA126.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[5-[6-[6-deuterio-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573550
(3R)-3-[3-[6-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 177263085
(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
(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-[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
(3R)-3-[5-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573518
3-hydroxy-3-[5-[6-[2-[[2-(methoxymethyl)triazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-1-methylpyrrolidin-2-one
CID 170326715
(3R)-3-hydroxy-1-methyl-3-[5-[1-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]-3-pyridinyl]pyrrolidin-2-one
CID 170405441
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
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-[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-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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one (CID 170326593) is 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one is CN1CCC(O)(c2cc(-c3cccc(-c4ccnc(Nc5ccn(C)n5)n4)n3)n(C)n2)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is MQRIAXYFZUJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O2/c1-29-12-9-22(33,20(29)32)18-13-17(31(3)27-18)16-6-4-5-14(24-16)15-7-10-23-21(25-15)26-19-8-11-30(2)28-19/h4-8,10-11,13,33H,9,12H2,1-3H3,(H,23,25,26,28).
What are the key properties of 3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one?
3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 445.49 g/mol, XLogP of 1.47, 5 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-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 170326593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).