3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one

C23H23F2N9O2 — CID 170574240

IUPAC3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCc1nn(CC(F)F)cc1Nc1nccc(-n2ccc(-c3cc(C4(O)CCN(C)C4=O)ccn3)n2)n1
InChIInChI=1S/C23H23F2N9O2/c1-14-18(12-33(30-14)13-19(24)25)28-22-27-8-4-20(29-22)34-9-5-16(31-34)17-11-15(3-7-26-17)23(36)6-10-32(2)21(23)35/h3-5,7-9,11-12,19,36H,6,10,13H2,1-2H3,(H,27,28,29)
InChIKeyTYLVSOYPBBMBDY-UHFFFAOYSA-N
MW495.49 g/mol
LogP2.29
Rot. Bonds7

About 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one

3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170574240) has the molecular formula C23H23F2N9O2 and a molecular weight of 495.49 g/mol. Its IUPAC name is 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170574240
Molecular FormulaC23H23F2N9O2
Molecular Weight495.49 g/mol
Exact Mass495.19
IUPAC Name3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCc1nn(CC(F)F)cc1Nc1nccc(-n2ccc(-c3cc(C4(O)CCN(C)C4=O)ccn3)n2)n1
InChIInChI=1S/C23H23F2N9O2/c1-14-18(12-33(30-14)13-19(24)25)28-22-27-8-4-20(29-22)34-9-5-16(31-34)17-11-15(3-7-26-17)23(36)6-10-32(2)21(23)35/h3-5,7-9,11-12,19,36H,6,10,13H2,1-2H3,(H,27,28,29)
InChIKeyTYLVSOYPBBMBDY-UHFFFAOYSA-N
XLogP2.29
TPSA126.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

3-hydroxy-6-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-3-propan-2-yl-1H-indol-2-one
CID 89769061
US10214546, Example 35
CID 121456504
(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
CID 170326533
(3R)-4,4-difluoro-3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326996
WO2022104348, Example 109
CID 163303152
WO2022104348, Example 118
CID 163303168
WO2022104348, Example 122
CID 163303220
WO2022104348, Example 117
CID 163303222
WO2022104348, Example 121
CID 163303398
US20240239794, Example 34
CID 172429696
US20240239794, Example 35
CID 172429697
US20240239794, Example 42
CID 172429704

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170574240) is 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one is Cc1nn(CC(F)F)cc1Nc1nccc(-n2ccc(-c3cc(C4(O)CCN(C)C4=O)ccn3)n2)n1.
What is the InChIKey of 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is TYLVSOYPBBMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N9O2/c1-14-18(12-33(30-14)13-19(24)25)28-22-27-8-4-20(29-22)34-9-5-16(31-34)17-11-15(3-7-26-17)23(36)6-10-32(2)21(23)35/h3-5,7-9,11-12,19,36H,6,10,13H2,1-2H3,(H,27,28,29).
What are the key properties of 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one?
3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 495.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[2-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyrazol-3-yl]-4-pyridinyl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170574240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).