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

C24H20F2N6O — CID 138514280

IUPAC1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccccc2F)n1
InChIInChI=1S/C24H20F2N6O/c1-31-21(7-10-28-31)30-24-27-9-6-20(29-24)17-12-16-8-11-32(23(16)19(26)13-17)22(33)14-15-4-2-3-5-18(15)25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,27,29,30)
InChIKeyIEZNMGYIJNKBBK-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.03
Rot. Bonds5

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

1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 138514280) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID138514280
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccccc2F)n1
InChIInChI=1S/C24H20F2N6O/c1-31-21(7-10-28-31)30-24-27-9-6-20(29-24)17-12-16-8-11-32(23(16)19(26)13-17)22(33)14-15-4-2-3-5-18(15)25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,27,29,30)
InChIKeyIEZNMGYIJNKBBK-UHFFFAOYSA-N
XLogP4.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone (CID 138514280) is 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone is Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccccc2F)n1.
What is the InChIKey of 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is IEZNMGYIJNKBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-31-21(7-10-28-31)30-24-27-9-6-20(29-24)17-12-16-8-11-32(23(16)19(26)13-17)22(33)14-15-4-2-3-5-18(15)25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,27,29,30).
What are the key properties of 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone?
1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 446.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 138514280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).