5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine

C34H43ClF3N7O2 — CID 158191668

About 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine

5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine (PubChem CID 158191668) has the molecular formula C34H43ClF3N7O2 and a molecular weight of 674.21 g/mol. Its IUPAC name is 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine.

Molecular Properties

• Compound Name: 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine
• PubChem CID: 158191668
• Molecular Formula: C34H43ClF3N7O2
• Molecular Weight: 674.21 g/mol
• Exact Mass: 673.31
• IUPAC Name: 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine
• SMILES: CCN(CC)CC.O=C(Nc1ccc(CN2CCN(C3CC3)CC2)c(C(F)(F)F)c1)N1CCc2cc(Oc3cc(Cl)ncn3)ccc21
• InChI: InChI=1S/C28H28ClF3N6O2.C6H15N/c29-25-15-26(34-17-33-25)40-22-5-6-24-18(13-22)7-8-38(24)27(39)35-20-2-1-19(23(14-20)28(30,31)32)16-36-9-11-37(12-10-36)21-3-4-21;1-4-7(5-2)6-3/h1-2,5-6,13-15,17,21H,3-4,7-12,16H2,(H,35,39);4-6H2,1-3H3
• InChIKey: FZVIARURALLNEV-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 77.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.21
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine?

The IUPAC name of 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine (CID 158191668) is 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine.

What is the SMILES notation for 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine?

The canonical SMILES for 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine is CCN(CC)CC.O=C(Nc1ccc(CN2CCN(C3CC3)CC2)c(C(F)(F)F)c1)N1CCc2cc(Oc3cc(Cl)ncn3)ccc21.

What is the InChIKey of 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine?

The InChIKey is FZVIARURALLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClF3N6O2.C6H15N/c29-25-15-26(34-17-33-25)40-22-5-6-24-18(13-22)7-8-38(24)27(39)35-20-2-1-19(23(14-20)28(30,31)32)16-36-9-11-37(12-10-36)21-3-4-21;1-4-7(5-2)6-3/h1-2,5-6,13-15,17,21H,3-4,7-12,16H2,(H,35,39);4-6H2,1-3H3.

What are the key properties of 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine?

5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine has a molecular weight of 674.21 g/mol, XLogP of 7.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloropyrimidin-4-yl)oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;N,N-diethylethanamine is sourced from PubChem (CID 158191668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).