N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

C26H21FN8O2 — CID 175097377

IUPACN-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCC(=O)Nn1cc(Nc2nccc(-c3cc(C#N)c4c(c3)CCN4C(=O)Cc3ccccc3F)n2)cn1
InChIInChI=1S/C26H21FN8O2/c1-16(36)33-35-15-21(14-30-35)31-26-29-8-6-23(32-26)19-10-18-7-9-34(25(18)20(11-19)13-28)24(37)12-17-4-2-3-5-22(17)27/h2-6,8,10-11,14-15H,7,9,12H2,1H3,(H,33,36)(H,29,31,32)
InChIKeyMSLWQAMBLNSVGF-UHFFFAOYSA-N
MW496.51 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide

N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 175097377) has the molecular formula C26H21FN8O2 and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
PubChem CID175097377
Molecular FormulaC26H21FN8O2
Molecular Weight496.51 g/mol
Exact Mass496.18
IUPAC NameN-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
SMILESCC(=O)Nn1cc(Nc2nccc(-c3cc(C#N)c4c(c3)CCN4C(=O)Cc3ccccc3F)n2)cn1
InChIInChI=1S/C26H21FN8O2/c1-16(36)33-35-15-21(14-30-35)31-26-29-8-6-23(32-26)19-10-18-7-9-34(25(18)20(11-19)13-28)24(37)12-17-4-2-3-5-22(17)27/h2-6,8,10-11,14-15H,7,9,12H2,1H3,(H,33,36)(H,29,31,32)
InChIKeyMSLWQAMBLNSVGF-UHFFFAOYSA-N
XLogP3.32
TPSA128.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide 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 N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide (CID 175097377) is N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is CC(=O)Nn1cc(Nc2nccc(-c3cc(C#N)c4c(c3)CCN4C(=O)Cc3ccccc3F)n2)cn1.
What is the InChIKey of N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is MSLWQAMBLNSVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O2/c1-16(36)33-35-15-21(14-30-35)31-26-29-8-6-23(32-26)19-10-18-7-9-34(25(18)20(11-19)13-28)24(37)12-17-4-2-3-5-22(17)27/h2-6,8,10-11,14-15H,7,9,12H2,1H3,(H,33,36)(H,29,31,32).
What are the key properties of N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide?
N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 496.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 175097377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).