1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

C27H26F3N7O2 — CID 165142504

About 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142504) has the molecular formula C27H26F3N7O2 and a molecular weight of 537.55 g/mol. Its IUPAC name is 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• PubChem CID: 165142504
• Molecular Formula: C27H26F3N7O2
• Molecular Weight: 537.55 g/mol
• Exact Mass: 537.21
• IUPAC Name: 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• SMILES: COCCn1cc(Nc2ncc(CN3CCc4ccc(C(=O)Nc5cccc(C(F)(F)F)c5)cc43)cn2)cn1
• InChI: InChI=1S/C27H26F3N7O2/c1-39-10-9-37-17-23(15-33-37)35-26-31-13-18(14-32-26)16-36-8-7-19-5-6-20(11-24(19)36)25(38)34-22-4-2-3-21(12-22)27(28,29)30/h2-6,11-15,17H,7-10,16H2,1H3,(H,34,38)(H,31,32,35)
• InChIKey: IMLDCQHIIODTCI-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.55
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The IUPAC name of 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (CID 165142504) is 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

What is the SMILES notation for 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The canonical SMILES for 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is COCCn1cc(Nc2ncc(CN3CCc4ccc(C(=O)Nc5cccc(C(F)(F)F)c5)cc43)cn2)cn1.

What is the InChIKey of 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The InChIKey is IMLDCQHIIODTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O2/c1-39-10-9-37-17-23(15-33-37)35-26-31-13-18(14-32-26)16-36-8-7-19-5-6-20(11-24(19)36)25(38)34-22-4-2-3-21(12-22)27(28,29)30/h2-6,11-15,17H,7-10,16H2,1H3,(H,34,38)(H,31,32,35).

What are the key properties of 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 537.55 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).