N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide

C32H26Cl3F3N8O — CID 123167278

IUPACN-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide
SMILESCc1cc(C)c(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)nc1Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1
InChIInChI=1S/C32H26Cl3F3N8O/c1-16-6-17(2)30(42-24(16)8-19-7-18(3)29(41-11-19)20-9-25(35)39-12-22(20)33)21-10-27(40-13-23(21)34)46-5-4-45-14-26(43-28(45)15-46)44-31(47)32(36,37)38/h6-7,9-14H,4-5,8,15H2,1-3H3,(H,44,47)
InChIKeyRACISBGPOIPUKD-UHFFFAOYSA-N
MW701.97 g/mol
LogP7.79
Rot. Bonds6

About N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide

N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 123167278) has the molecular formula C32H26Cl3F3N8O and a molecular weight of 701.97 g/mol. Its IUPAC name is N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID123167278
Molecular FormulaC32H26Cl3F3N8O
Molecular Weight701.97 g/mol
Exact Mass700.12
IUPAC NameN-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide
SMILESCc1cc(C)c(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)nc1Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1
InChIInChI=1S/C32H26Cl3F3N8O/c1-16-6-17(2)30(42-24(16)8-19-7-18(3)29(41-11-19)20-9-25(35)39-12-22(20)33)21-10-27(40-13-23(21)34)46-5-4-45-14-26(43-28(45)15-46)44-31(47)32(36,37)38/h6-7,9-14H,4-5,8,15H2,1-3H3,(H,44,47)
InChIKeyRACISBGPOIPUKD-UHFFFAOYSA-N
XLogP7.79
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.97
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide (CID 123167278) is N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide is Cc1cc(C)c(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)nc1Cc1cnc(-c2cc(Cl)ncc2Cl)c(C)c1.
What is the InChIKey of N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RACISBGPOIPUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl3F3N8O/c1-16-6-17(2)30(42-24(16)8-19-7-18(3)29(41-11-19)20-9-25(35)39-12-22(20)33)21-10-27(40-13-23(21)34)46-5-4-45-14-26(43-28(45)15-46)44-31(47)32(36,37)38/h6-7,9-14H,4-5,8,15H2,1-3H3,(H,44,47).
What are the key properties of N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide?
N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 701.97 g/mol, XLogP of 7.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-chloro-4-[6-[[6-(2,5-dichloro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]-3,5-dimethyl-2-pyridinyl]-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 123167278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).