N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide

C22H21Cl2F2N7O2 — CID 170795265

About N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide

N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide (PubChem CID 170795265) has the molecular formula C22H21Cl2F2N7O2 and a molecular weight of 524.36 g/mol. Its IUPAC name is N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide.

Molecular Properties

• Compound Name: N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
• PubChem CID: 170795265
• Molecular Formula: C22H21Cl2F2N7O2
• Molecular Weight: 524.36 g/mol
• Exact Mass: 523.11
• IUPAC Name: N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
• SMILES: O=C(Nc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(C(=O)Cc2cnccn2)C1)C(F)F
• InChI: InChI=1S/C22H21Cl2F2N7O2/c23-13-6-14(31-22(35)21(25)26)18-17(11-7-29-30-8-11)15-10-32(3-4-33(15)20(18)19(13)24)16(34)5-12-9-27-1-2-28-12/h1-2,6,9,11,21,29-30H,3-5,7-8,10H2,(H,31,35)
• InChIKey: LKVJDMIKMDXHEV-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 104.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.36
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?

The IUPAC name of N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide (CID 170795265) is N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide.

What is the SMILES notation for N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?

The canonical SMILES for N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide is O=C(Nc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(C(=O)Cc2cnccn2)C1)C(F)F.

What is the InChIKey of N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?

The InChIKey is LKVJDMIKMDXHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2F2N7O2/c23-13-6-14(31-22(35)21(25)26)18-17(11-7-29-30-8-11)15-10-32(3-4-33(15)20(18)19(13)24)16(34)5-12-9-27-1-2-28-12/h1-2,6,9,11,21,29-30H,3-5,7-8,10H2,(H,31,35).

What are the key properties of N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?

N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide has a molecular weight of 524.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6,7-dichloro-2-(2-pyrazin-2-ylacetyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170795265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).