1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile

C26H19F4N7O — CID 130204739

IUPAC1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
SMILESCn1nccc1Nc1nccc(-c2cc(C#N)c3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2F)n1
InChIInChI=1S/C26H19F4N7O/c1-36-21(6-9-33-36)35-25-32-8-5-20(34-25)17-11-16-7-10-37(24(16)18(12-17)14-31)22(38)13-15-3-2-4-19(23(15)27)26(28,29)30/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,32,34,35)
InChIKeyKRVKFIFLNCNWQI-UHFFFAOYSA-N
MW521.48 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile

1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile (PubChem CID 130204739) has the molecular formula C26H19F4N7O and a molecular weight of 521.48 g/mol. Its IUPAC name is 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
PubChem CID130204739
Molecular FormulaC26H19F4N7O
Molecular Weight521.48 g/mol
Exact Mass521.16
IUPAC Name1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
SMILESCn1nccc1Nc1nccc(-c2cc(C#N)c3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2F)n1
InChIInChI=1S/C26H19F4N7O/c1-36-21(6-9-33-36)35-25-32-8-5-20(34-25)17-11-16-7-10-37(24(16)18(12-17)14-31)22(38)13-15-3-2-4-19(23(15)27)26(28,29)30/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,32,34,35)
InChIKeyKRVKFIFLNCNWQI-UHFFFAOYSA-N
XLogP4.78
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?
The IUPAC name of 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile (CID 130204739) is 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile.
What is the SMILES notation for 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?
The canonical SMILES for 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile is Cn1nccc1Nc1nccc(-c2cc(C#N)c3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2F)n1.
What is the InChIKey of 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?
The InChIKey is KRVKFIFLNCNWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N7O/c1-36-21(6-9-33-36)35-25-32-8-5-20(34-25)17-11-16-7-10-37(24(16)18(12-17)14-31)22(38)13-15-3-2-4-19(23(15)27)26(28,29)30/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,32,34,35).
What are the key properties of 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile?
1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile has a molecular weight of 521.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile is sourced from PubChem (CID 130204739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).