1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

C29H29F3N6O2 — CID 165142586

About 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142586) 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-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• PubChem CID: 165142586
• Molecular Formula: C29H29F3N6O2
• Molecular Weight: 550.59 g/mol
• Exact Mass: 550.23
• IUPAC Name: 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
• SMILES: O=C(Nc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1cnc3cnccn13)CC2
• InChI: InChI=1S/C29H29F3N6O2/c30-29(31,32)22-14-23(16-25(15-22)40-12-11-36-7-1-2-8-36)35-28(39)21-4-3-20-5-9-37(26(20)13-21)19-24-17-34-27-18-33-6-10-38(24)27/h3-4,6,10,13-18H,1-2,5,7-9,11-12,19H2,(H,35,39)
• InChIKey: YODZBZLNFWHKMK-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• 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-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The IUPAC name of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (CID 165142586) is 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

What is the SMILES notation for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The canonical SMILES for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is O=C(Nc1cc(OCCN2CCCC2)cc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1cnc3cnccn13)CC2.

What is the InChIKey of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

The InChIKey is YODZBZLNFWHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O2/c30-29(31,32)22-14-23(16-25(15-22)40-12-11-36-7-1-2-8-36)35-28(39)21-4-3-20-5-9-37(26(20)13-21)19-24-17-34-27-18-33-6-10-38(24)27/h3-4,6,10,13-18H,1-2,5,7-9,11-12,19H2,(H,35,39).

What are the key properties of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?

1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 550.59 g/mol, XLogP of 5.04, 8 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-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).