2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

C24H19F3N6O — CID 138514299

IUPAC2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C24H19F3N6O/c1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(25)2-3-18(15)26/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31)
InChIKeyXXYPEAZLXMSUOV-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.17
Rot. Bonds5

About 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 138514299) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID138514299
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C24H19F3N6O/c1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(25)2-3-18(15)26/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31)
InChIKeyXXYPEAZLXMSUOV-UHFFFAOYSA-N
XLogP4.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (CID 138514299) is 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is XXYPEAZLXMSUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(25)2-3-18(15)26/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31).
What are the key properties of 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 464.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 138514299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).