1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

C29H29F3N6O2 — CID 165142556

About 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142556) has the molecular formula C29H29F3N6O2 and a molecular weight of 550.59 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• PubChem CID: 165142556
• Molecular Formula: C29H29F3N6O2
• Molecular Weight: 550.59 g/mol
• Exact Mass: 550.23
• IUPAC Name: 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• SMILES: CN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)N(Cc3cnc5cnccn35)CC4)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C29H29F3N6O2/c1-36-10-7-23(8-11-36)40-26-5-4-21(15-24(26)29(30,31)32)35-28(39)20-3-2-19-6-12-37(25(19)14-20)18-22-16-34-27-17-33-9-13-38(22)27/h2-5,9,13-17,23H,6-8,10-12,18H2,1H3,(H,35,39)
• InChIKey: IGFJLGZMHDVUEC-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.59
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The IUPAC name of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (CID 165142556) is 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

What is the SMILES notation for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The canonical SMILES for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is CN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)N(Cc3cnc5cnccn35)CC4)cc2C(F)(F)F)CC1.

What is the InChIKey of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The InChIKey is IGFJLGZMHDVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O2/c1-36-10-7-23(8-11-36)40-26-5-4-21(15-24(26)29(30,31)32)35-28(39)20-3-2-19-6-12-37(25(19)14-20)18-22-16-34-27-17-33-9-13-38(22)27/h2-5,9,13-17,23H,6-8,10-12,18H2,1H3,(H,35,39).

What are the key properties of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 550.59 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).